 Entering Gaussian System, Link 0=g16
 Input=07_transpinane_STD_LCPBE_augccpVDZ.in
 Output=07_transpinane_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/07_transpinane_STD/Gau-2657.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/07_transpinane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2658.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=07_transpinane_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=024800
 0000,3/108=0248000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=248000000,108=248000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:02 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "07_transpinane_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.528880000000      1.093729000000      0.246966000000
  C                                                -1.321456000000     -0.416759000000      0.534617000000
  C                                                -0.251555000000      1.852797000000     -0.188359000000
  C                                                 0.770710000000      0.903021000000     -0.813047000000
  C                                                 1.207111000000     -0.195282000000      0.209826000000
  C                                                -0.097064000000     -0.937248000000     -0.228322000000
  C                                                 0.020234000000     -0.208022000000     -1.592788000000
  H                                                -1.986528000000      1.578225000000      1.111675000000
  C                                                -2.579256000000     -1.209394000000      0.185867000000
  H                                                -1.133681000000     -0.556858000000      1.602321000000
  H                                                 1.569849000000      1.446260000000     -1.321922000000
  C                                                 1.387674000000      0.189094000000      1.672498000000
  C                                                 2.463556000000     -0.935948000000     -0.249050000000
  H                                                -0.064495000000     -2.029648000000     -0.222695000000
  H                                                 0.653697000000     -0.734184000000     -2.301610000000
  H                                                -0.904266000000      0.071251000000     -2.098034000000
  H                                                 0.543396000000      0.733850000000      2.089372000000
  H                                                 2.274733000000      0.817174000000      1.790633000000
  H                                                 1.536666000000     -0.704580000000      2.284391000000
  H                                                 2.414606000000     -1.247642000000     -1.291582000000
  H                                                 2.620603000000     -1.831637000000      0.357494000000
  H                                                 3.344630000000     -0.299271000000     -0.134439000000
  H                                                -2.262427000000      1.175948000000     -0.557656000000
  H                                                -0.525798000000      2.622427000000     -0.914283000000
  H                                                 0.202587000000      2.377960000000      0.654229000000
  H                                                -2.781972000000     -1.167070000000     -0.887575000000
  H                                                -3.453499000000     -0.808443000000      0.704109000000
  H                                                -2.474549000000     -2.259702000000      0.466325000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     28 NQM=       28 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28
 IAtWgt=           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.551561   0.000000
     3  C    1.548306   2.611181   0.000000
     4  C    2.539313   2.816944   1.528835   0.000000
     5  C    3.024661   2.558944   2.545758   1.563005   0.000000
     6  C    2.529993   1.533662   2.794605   2.116961   1.563125
     7  C    2.734777   2.523798   2.508638   1.551008   2.158299
     8  H    1.091742   2.180660   2.185317   3.429696   3.762710
     9  C    2.532074   1.527075   3.864615   4.084409   3.919894
    10  H    2.172005   1.093105   3.129076   3.404696   2.747560
    11  H    3.491104   3.908609   2.183518   1.092101   2.274311
    12  C    3.369984   3.000203   2.986263   2.658622   1.523075
    13  C    4.506125   3.900001   3.892635   2.562348   1.528989
    14  H    3.481449   2.180570   3.887100   3.105902   2.273534
    15  H    3.821014   3.470760   3.460893   2.215841   2.627545
    16  H    2.633368   2.709807   2.691987   2.269048   3.139295
    17  H    2.796122   2.686789   2.659332   2.916218   2.199204
    18  H    4.114227   4.004091   3.372100   3.008090   2.159591
    19  H    4.096656   3.363541   3.981508   3.572841   2.161437
    20  H    4.837378   4.240699   4.235356   2.748953   2.195389
    21  H    5.078208   4.192026   4.703435   3.502945   2.167354
    22  H    5.083013   4.715273   4.191283   2.920801   2.167561
    23  H    1.091910   2.148302   2.153627   3.056081   3.808805
    24  H    2.166008   3.459629   1.092934   2.155815   3.493720
    25  H    2.193876   3.185509   1.091786   2.156643   2.797881
    26  H    2.822877   2.172258   4.001438   4.112466   4.249876
    27  H    2.744339   2.174339   4.258068   4.803625   4.726687
    28  H    3.491118   2.175023   4.720483   4.708643   4.228740
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.551547   0.000000
     8  H    3.419542   3.812072   0.000000
     9  C    2.531184   3.305103   2.996542   0.000000
    10  H    2.137879   3.414957   2.350885   2.126460   0.000000
    11  H    3.107357   2.282832   4.311337   5.151796   4.457887
    12  C    2.661994   3.562259   3.691808   4.461208   2.630323
    13  C    2.560704   2.881897   5.289224   5.068913   4.063422
    14  H    1.092900   2.280933   4.300175   2.676521   2.577393
    15  H    2.214362   1.086531   4.895767   4.106745   4.297306
    16  H    2.272547   1.089939   3.707357   3.108351   3.760290
    17  H    2.928218   3.836551   2.840665   4.141314   2.171574
    18  H    3.574856   4.193010   4.381612   5.499406   3.679771
    19  H    3.006149   4.192690   4.358825   4.647521   2.760035
    20  H    2.745060   2.627651   5.755966   5.207972   4.630572
    21  H    2.920415   3.633407   5.781142   5.239769   4.155635
    22  H    3.501583   3.631352   5.787835   6.001945   4.810193
    23  H    3.043494   2.863112   1.739141   2.518544   2.990349
    24  H    3.650430   2.961412   2.707138   4.484403   4.100082
    25  H    3.443732   3.430691   2.375091   4.563674   3.361197
    26  H    2.774196   3.044578   3.488033   1.093235   3.047754
    27  H    3.485925   4.207501   2.830954   1.092537   2.500327
    28  H    2.807820   3.830572   3.922286   1.092139   2.447058
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.252723   0.000000
    13  C    2.761283   2.472972   0.000000
    14  H    3.995162   3.259351   2.754617   0.000000
    15  H    2.559972   4.145443   2.743957   2.552629   0.000000
    16  H    2.935003   4.414044   3.971828   2.938688   1.765621
    17  H    3.632914   1.087818   3.455931   3.654053   4.631200
    18  H    3.252785   1.093304   2.696182   4.198794   4.667004
    19  H    4.199132   1.093282   2.707578   3.256532   4.670323
    20  H    2.823410   3.450300   1.089230   2.810693   2.093943
    21  H    3.830030   2.707896   1.093077   2.754193   3.484818
    22  H    2.758050   2.707988   1.093062   3.824150   3.482370
    23  H    3.917079   4.389841   5.185582   3.901147   3.897917
    24  H    2.437473   4.034095   4.694764   4.725769   3.818733
    25  H    2.577333   2.689319   4.112162   4.501926   4.315776
    26  H    5.094752   5.077313   5.289300   2.927591   3.740415
    27  H    5.867070   5.036846   5.994690   3.719631   5.090081
    28  H    5.769674   4.729505   5.162264   2.517148   4.446863
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.479858   0.000000
    18  H    5.077811   1.758896   0.000000
    19  H    5.075994   1.758891   1.761895   0.000000
    20  H    3.661250   4.342648   3.712557   3.721999   0.000000
    21  H    4.698436   3.727722   3.031454   2.481554   1.761515
    22  H    4.695328   3.722847   2.469217   3.046924   1.761628
    23  H    2.331892   3.882634   5.121426   5.103599   5.318559
    24  H    2.837781   3.705650   4.291676   5.055121   4.875014
    25  H    3.757789   2.208820   2.832182   3.733530   4.671638
    26  H    2.554296   4.851163   6.056425   5.378280   5.212882
    27  H    3.889017   4.502532   6.052752   5.235439   6.213721
    28  H    3.804611   4.550124   5.811767   4.670505   5.293235
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764755   0.000000
    23  H    5.807499   5.813301   0.000000
    24  H    5.599638   4.911689   2.288092   0.000000
    25  H    4.863698   4.202618   2.998298   1.746579   0.000000
    26  H    5.583875   6.233421   2.422500   4.410365   4.883850
    27  H    6.169423   6.868550   2.636003   4.791815   4.850012
    28  H    5.114260   6.169850   3.591270   5.434969   5.358197
                   26         27         28
    26  H    0.000000
    27  H    1.764375   0.000000
    28  H    1.766748   1.766646   0.000000
 Stoichiometry    C10H18
 Framework group  C1[X(C10H18)]
 Deg. of freedom    78
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.82D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9658786           1.1625021           1.0803891
 Leave Link  202 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     15     16     17     18     19     20
 Centers:      21     22     23     24     25     26     27     28
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 424 were deleted.
 There are   412 symmetry adapted cartesian basis functions of A   symmetry.
 There are   392 symmetry adapted basis functions of A   symmetry.
   392 basis functions,   686 primitive gaussians,   412 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       595.1708560182 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.248000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.248000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   28 NActive=   28 NUniq=   28 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:06 2021, MaxMem=  5637144576 cpu:              15.8 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   392 RedAO= T EigKep=  1.88D-06  NBF=   392
 NBsUse=   392 1.00D-06 EigRej= -1.00D+00 NBFU=   392
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   412   412   412   412   412 MxSgAt=    28 MxSgA2=    28.
 Leave Link  302 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:               6.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:               3.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "07_transpinane_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:11 2021, MaxMem=  5637144576 cpu:              17.0 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636797708 LenY=  5636627523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.606187703778    
 DIIS: error= 3.06D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.606187703778     IErMin= 1 ErrMin= 3.06D-03
 ErrMax= 3.06D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-02 BMatP= 1.18D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.06D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.434 Goal=   None    Shift=    0.000
 GapD=    0.434 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=3.77D-02 MaxDP=4.73D+00              OVMax= 1.64D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.73D-02    CP:  1.76D+00
 E= -390.618655640018     Delta-E=       -0.012467936241 Rises=F Damp=F
 DIIS: error= 6.98D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.618655640018     IErMin= 2 ErrMin= 6.98D-04
 ErrMax= 6.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-04 BMatP= 1.18D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.98D-03
 Coeff-Com: -0.472D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.469D-02 0.100D+01
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=5.51D-03 MaxDP=8.02D-01 DE=-1.25D-02 OVMax= 4.32D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.38D-03    CP:  1.87D+00  1.13D+00
 E= -390.618901700705     Delta-E=       -0.000246060687 Rises=F Damp=F
 DIIS: error= 5.18D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.618901700705     IErMin= 3 ErrMin= 5.18D-04
 ErrMax= 5.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-04 BMatP= 3.67D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.18D-03
 Coeff-Com: -0.227D-01 0.450D+00 0.573D+00
 Coeff-En:   0.000D+00 0.186D+00 0.814D+00
 Coeff:     -0.226D-01 0.449D+00 0.574D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=7.96D-04 MaxDP=9.43D-02 DE=-2.46D-04 OVMax= 2.76D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.59D-04    CP:  1.89D+00  1.15D+00  9.54D-01
 E= -390.619131239455     Delta-E=       -0.000229538751 Rises=F Damp=F
 DIIS: error= 9.46D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.619131239455     IErMin= 4 ErrMin= 9.46D-05
 ErrMax= 9.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.80D-06 BMatP= 2.37D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.471D-02-0.867D-02 0.143D+00 0.870D+00
 Coeff:     -0.471D-02-0.867D-02 0.143D+00 0.870D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.98D-04 MaxDP=2.83D-02 DE=-2.30D-04 OVMax= 5.58D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.14D-05    CP:  1.89D+00  1.16D+00  1.03D+00  9.64D-01
 E= -390.619141730152     Delta-E=       -0.000010490696 Rises=F Damp=F
 DIIS: error= 2.96D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.619141730152     IErMin= 5 ErrMin= 2.96D-05
 ErrMax= 2.96D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-06 BMatP= 9.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-03-0.379D-01 0.118D-01 0.328D+00 0.698D+00
 Coeff:      0.135D-03-0.379D-01 0.118D-01 0.328D+00 0.698D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.03D-05 MaxDP=5.21D-03 DE=-1.05D-05 OVMax= 1.76D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.73D-05    CP:  1.89D+00  1.16D+00  1.04D+00  1.02D+00  9.32D-01
 E= -390.619142841469     Delta-E=       -0.000001111317 Rises=F Damp=F
 DIIS: error= 5.30D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.619142841469     IErMin= 6 ErrMin= 5.30D-06
 ErrMax= 5.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.26D-08 BMatP= 1.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.471D-03-0.981D-02-0.740D-02 0.248D-01 0.204D+00 0.788D+00
 Coeff:      0.471D-03-0.981D-02-0.740D-02 0.248D-01 0.204D+00 0.788D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=8.15D-06 MaxDP=1.09D-03 DE=-1.11D-06 OVMax= 4.91D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.59D-06    CP:  1.89D+00  1.16D+00  1.04D+00  1.02D+00  9.70D-01
                    CP:  1.04D+00
 E= -390.619142905732     Delta-E=       -0.000000064263 Rises=F Damp=F
 DIIS: error= 1.08D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.619142905732     IErMin= 7 ErrMin= 1.08D-06
 ErrMax= 1.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-09 BMatP= 5.26D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.442D-04 0.674D-03-0.142D-02-0.154D-01-0.116D-01 0.104D+00
 Coeff-Com:  0.924D+00
 Coeff:      0.442D-04 0.674D-03-0.142D-02-0.154D-01-0.116D-01 0.104D+00
 Coeff:      0.924D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=3.88D-06 MaxDP=5.11D-04 DE=-6.43D-08 OVMax= 1.53D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.32D-06    CP:  1.89D+00  1.16D+00  1.03D+00  1.02D+00  9.74D-01
                    CP:  1.09D+00  1.14D+00
 E= -390.619142908519     Delta-E=       -0.000000002787 Rises=F Damp=F
 DIIS: error= 5.60D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.619142908519     IErMin= 8 ErrMin= 5.60D-07
 ErrMax= 5.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-10 BMatP= 1.73D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.185D-04 0.103D-02-0.540D-04-0.847D-02-0.208D-01-0.157D-01
 Coeff-Com:  0.370D+00 0.674D+00
 Coeff:     -0.185D-04 0.103D-02-0.540D-04-0.847D-02-0.208D-01-0.157D-01
 Coeff:      0.370D+00 0.674D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=8.32D-07 MaxDP=1.30D-04 DE=-2.79D-09 OVMax= 4.43D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.58D-07    CP:  1.89D+00  1.16D+00  1.03D+00  1.02D+00  9.75D-01
                    CP:  1.09D+00  1.20D+00  1.12D+00
 E= -390.619142908939     Delta-E=       -0.000000000420 Rises=F Damp=F
 DIIS: error= 1.17D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.619142908939     IErMin= 9 ErrMin= 1.17D-07
 ErrMax= 1.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-11 BMatP= 3.71D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.814D-05 0.208D-03 0.913D-04-0.768D-03-0.416D-02-0.115D-01
 Coeff-Com:  0.109D-01 0.163D+00 0.842D+00
 Coeff:     -0.814D-05 0.208D-03 0.913D-04-0.768D-03-0.416D-02-0.115D-01
 Coeff:      0.109D-01 0.163D+00 0.842D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.00D-07 MaxDP=1.32D-05 DE=-4.20D-10 OVMax= 1.66D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.06D-07    CP:  1.89D+00  1.16D+00  1.03D+00  1.02D+00  9.74D-01
                    CP:  1.09D+00  1.21D+00  1.19D+00  1.04D+00
 E= -390.619142908922     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 3.02D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -390.619142908939     IErMin=10 ErrMin= 3.02D-08
 ErrMax= 3.02D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.95D-13 BMatP= 1.63D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.729D-07-0.529D-04 0.145D-04 0.582D-03 0.114D-02-0.194D-03
 Coeff-Com: -0.305D-01-0.343D-01 0.130D+00 0.933D+00
 Coeff:      0.729D-07-0.529D-04 0.145D-04 0.582D-03 0.114D-02-0.194D-03
 Coeff:     -0.305D-01-0.343D-01 0.130D+00 0.933D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=9.55D-08 MaxDP=1.08D-05 DE= 1.72D-11 OVMax= 5.50D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.25D-08    CP:  1.89D+00  1.16D+00  1.03D+00  1.02D+00  9.74D-01
                    CP:  1.09D+00  1.21D+00  1.21D+00  1.07D+00  1.14D+00
 E= -390.619142908949     Delta-E=       -0.000000000027 Rises=F Damp=F
 DIIS: error= 9.24D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -390.619142908949     IErMin=11 ErrMin= 9.24D-09
 ErrMax= 9.24D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-13 BMatP= 8.95D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.377D-06-0.281D-04 0.175D-05 0.240D-03 0.593D-03 0.417D-03
 Coeff-Com: -0.115D-01-0.193D-01 0.108D-01 0.335D+00 0.684D+00
 Coeff:      0.377D-06-0.281D-04 0.175D-05 0.240D-03 0.593D-03 0.417D-03
 Coeff:     -0.115D-01-0.193D-01 0.108D-01 0.335D+00 0.684D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.14D-08 MaxDP=7.46D-07 DE=-2.67D-11 OVMax= 1.17D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.25D-09    CP:  1.89D+00  1.16D+00  1.03D+00  1.02D+00  9.74D-01
                    CP:  1.09D+00  1.21D+00  1.21D+00  1.07D+00  1.18D+00
                    CP:  1.06D+00
 E= -390.619142908928     Delta-E=        0.000000000021 Rises=F Damp=F
 DIIS: error= 3.17D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -390.619142908949     IErMin=12 ErrMin= 3.17D-09
 ErrMax= 3.17D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-14 BMatP= 1.16D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-06-0.119D-05-0.125D-05-0.100D-04 0.273D-04 0.165D-03
 Coeff-Com:  0.815D-03-0.114D-02-0.163D-01-0.314D-01 0.219D+00 0.829D+00
 Coeff:      0.115D-06-0.119D-05-0.125D-05-0.100D-04 0.273D-04 0.165D-03
 Coeff:      0.815D-03-0.114D-02-0.163D-01-0.314D-01 0.219D+00 0.829D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=5.46D-09 MaxDP=5.65D-07 DE= 2.09D-11 OVMax= 4.72D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -390.619142909     A.U. after   12 cycles
            NFock= 12  Conv=0.55D-08     -V/T= 2.0053
 KE= 3.885641854235D+02 PE=-2.095987504944D+03 EE= 7.216333205934D+02
 Leave Link  502 at Fri Jul 16 19:25:44 2021, MaxMem=  5637144576 cpu:            5448.5 elap:             692.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   392
 NBasis=   392 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    392 NOA=    39 NOB=    39 NVA=   353 NVB=   353

 **** Warning!!: The largest alpha MO coefficient is  0.96263916D+02

 Leave Link  801 at Fri Jul 16 19:25:45 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8667 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          28
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.29D-13 8.33D-09 XBig12= 1.00D+00 1.26D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.29D-13 8.33D-09 XBig12= 1.39D-01 3.99D-02.
     11 vectors produced by pass  2 Test12= 2.29D-13 8.33D-09 XBig12= 2.50D-02 1.82D-02.
     11 vectors produced by pass  3 Test12= 2.29D-13 8.33D-09 XBig12= 2.66D-03 9.36D-03.
     11 vectors produced by pass  4 Test12= 2.29D-13 8.33D-09 XBig12= 2.23D-04 2.58D-03.
     11 vectors produced by pass  5 Test12= 2.29D-13 8.33D-09 XBig12= 2.35D-05 6.68D-04.
     11 vectors produced by pass  6 Test12= 2.29D-13 8.33D-09 XBig12= 1.11D-06 1.73D-04.
     11 vectors produced by pass  7 Test12= 2.29D-13 8.33D-09 XBig12= 3.75D-08 3.00D-05.
     11 vectors produced by pass  8 Test12= 2.29D-13 8.33D-09 XBig12= 9.87D-10 3.44D-06.
     11 vectors produced by pass  9 Test12= 2.29D-13 8.33D-09 XBig12= 2.09D-11 4.21D-07.
      8 vectors produced by pass 10 Test12= 2.29D-13 8.33D-09 XBig12= 4.64D-13 6.03D-08.
      1 vectors produced by pass 11 Test12= 2.29D-13 8.33D-09 XBig12= 2.53D-14 1.55D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.130646D+03
      2 -0.611010D-01  0.116445D+03
      3  0.654658D+00 -0.138997D-01  0.112116D+03
 Isotropic polarizability for W=    0.093368      119.74 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.503545D+01 -0.219604D+02  0.111876D+02
      2  -0.710956D+01  0.104710D+02 -0.429192D+01
      3   0.121450D+02  0.114894D+02 -0.689564D+01
      4  -0.308510D+02 -0.105624D+02  0.295621D+01
      5   0.188584D+02  0.191087D+01  0.177438D+02
      6   0.843339D+00  0.436745D+01 -0.456511D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.269618D+01  0.122088D+01  0.300592D+01
      2   0.307791D+01 -0.911312D+00  0.664379D+01
      3   0.414640D+01  0.299224D+01 -0.177088D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.104534D+01  0.865937D+01  0.160545D+02
      2  -0.767086D+01  0.211287D+01  0.559879D+01
      3  -0.889060D+01  0.345287D+01 -0.106753D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.160243D+01 -0.951132D+00 -0.892595D+00
      2  -0.951132D+00  0.990867D+00 -0.127755D+01
      3  -0.892595D+00 -0.127755D+01  0.625551D+00
 OR G Eigenvalues:    -2.4583     0.3677     2.1046  Iso=    -0.0047
 Eigenvectors:
   (1)   0.835652   0.378027   0.398475
   (2)  -0.547517   0.515563   0.659105
   (3)  -0.043720   0.768954  -0.637807
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0047 au.
 Molar Mass =    138.2522 grams/mole, [Alpha] ( 4880.0 A) =       -1.90 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   77028 ScalPx= 3.12D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   77028 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.54D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.82D-14 2.78D-09 XBig12= 1.00D+00 2.97D-01.
     30 vectors produced by pass  1 Test12= 3.82D-14 2.78D-09 XBig12= 2.71D-02 1.45D-02.
     30 vectors produced by pass  2 Test12= 3.82D-14 2.78D-09 XBig12= 3.22D-03 6.37D-03.
     30 vectors produced by pass  3 Test12= 3.82D-14 2.78D-09 XBig12= 6.59D-05 6.93D-04.
     30 vectors produced by pass  4 Test12= 3.82D-14 2.78D-09 XBig12= 1.18D-06 9.35D-05.
     30 vectors produced by pass  5 Test12= 3.82D-14 2.78D-09 XBig12= 1.30D-08 7.68D-06.
     30 vectors produced by pass  6 Test12= 3.82D-14 2.78D-09 XBig12= 1.48D-10 8.56D-07.
     30 vectors produced by pass  7 Test12= 3.82D-14 2.78D-09 XBig12= 1.25D-12 9.12D-08.
     11 vectors produced by pass  8 Test12= 3.82D-14 2.78D-09 XBig12= 1.33D-14 1.15D-08.
      7 vectors produced by pass  9 Test12= 3.82D-14 2.78D-09 XBig12= 1.74D-15 4.26D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   77028 ScalPx= 7.05D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   77028 ScalPx= 7.05D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   77028 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.97D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.130646D+03 -0.611010D-01  0.654658D+00
      2  -0.611010D-01  0.116445D+03 -0.138997D-01
      3   0.654658D+00 -0.138997D-01  0.112116D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.269618D+01  0.122088D+01  0.300592D+01
      2   0.307791D+01 -0.911312D+00  0.664379D+01
      3   0.414640D+01  0.299224D+01 -0.177088D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.503545D+01 -0.219604D+02  0.111876D+02
      2  -0.710956D+01  0.104710D+02 -0.429192D+01
      3   0.121450D+02  0.114894D+02 -0.689564D+01
      4  -0.308510D+02 -0.105624D+02  0.295621D+01
      5   0.188584D+02  0.191087D+01  0.177438D+02
      6   0.843339D+00  0.436745D+01 -0.456511D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144197D+01 -0.268033D+01  0.103445D+01 -0.317911D+01  0.319741D+00
      2  -0.268033D+01 -0.329917D+00  0.118197D+01  0.319741D+00  0.269030D+01
      3   0.103445D+01  0.118197D+01  0.290973D+01  0.167299D+01 -0.127011D+01
                 6             7             8             9            10 
      1   0.167299D+01  0.620666D+00  0.202989D+01  0.435817D+01 -0.439106D+00
      2  -0.127011D+01  0.202989D+01 -0.206732D+01 -0.222077D+01  0.335047D+01
      3  -0.162886D+01  0.435817D+01 -0.222077D+01 -0.402738D+00  0.131323D+01
                11            12            13            14            15 
      1   0.335047D+01  0.131323D+01  0.427196D+01  0.534034D+00  0.241353D+00
      2   0.129107D+01 -0.186585D+00  0.534034D+00 -0.495020D+01  0.447863D+00
      3  -0.186585D+00 -0.200215D+01  0.241353D+00  0.447863D+00  0.114606D+01
                16            17            18            19            20 
      1   0.206966D+01 -0.610062D-01 -0.240786D+01  0.721348D+00  0.137101D+01
      2  -0.610062D-01  0.143442D+01  0.123428D+01  0.137101D+01  0.634790D+00
      3  -0.240786D+01  0.123428D+01 -0.626774D+01 -0.722813D+00 -0.315810D+01
                21            22            23            24            25 
      1  -0.722813D+00  0.193683D+01  0.602102D+00 -0.312168D+01 -0.604400D+00
      2  -0.315810D+01  0.602102D+00 -0.409116D+01  0.145477D+01 -0.370741D+01
      3  -0.661443D+00 -0.312168D+01  0.145477D+01 -0.256477D+01 -0.773056D+00
                26            27            28            29            30 
      1  -0.370741D+01 -0.773056D+00 -0.306185D+01 -0.241368D+01  0.866145D+00
      2   0.194144D+01 -0.409747D+01 -0.241368D+01 -0.228824D+01  0.445918D+01
      3  -0.409747D+01 -0.384585D+00  0.866145D+00  0.445918D+01 -0.147119D+01
                31            32            33            34            35 
      1  -0.269747D+01 -0.199526D+01  0.458627D+01  0.997035D+00  0.521805D+01
      2  -0.199526D+01  0.134302D+01  0.760019D+00  0.521805D+01 -0.683634D+00
      3   0.458627D+01  0.760019D+00  0.267551D+01 -0.172180D+01  0.206439D+01
                36            37            38            39            40 
      1  -0.172180D+01  0.528073D+01  0.470261D+01  0.300626D+01  0.557029D+01
      2   0.206439D+01  0.470261D+01  0.178922D+01 -0.164721D+01  0.262566D+01
      3  -0.810061D+00  0.300626D+01 -0.164721D+01  0.736339D+00 -0.227791D+01
                41            42            43            44            45 
      1   0.262566D+01 -0.227791D+01  0.442973D+01 -0.198760D+01  0.287774D+00
      2  -0.327481D+01  0.289545D+01 -0.198760D+01  0.450766D+01 -0.266545D+01
      3   0.289545D+01 -0.240731D+01  0.287774D+00 -0.266545D+01 -0.185888D+01
                46            47            48            49            50 
      1  -0.394138D+01 -0.308548D+01 -0.257966D+01 -0.361393D+01 -0.140963D+00
      2  -0.308548D+01 -0.382504D+00 -0.195394D+00 -0.140963D+00  0.895764D+01
      3  -0.257966D+01 -0.195394D+00 -0.142586D+01 -0.180915D+00 -0.979447D+00
                51            52            53            54            55 
      1  -0.180915D+00 -0.543990D+01 -0.547010D+00 -0.199288D+00  0.171724D+01
      2  -0.979447D+00 -0.547010D+00 -0.755249D+00 -0.176059D+01 -0.224980D+00
      3  -0.251700D+01 -0.199288D+00 -0.176059D+01  0.356624D+01  0.357552D+01
                56            57            58            59            60 
      1  -0.224980D+00  0.357552D+01 -0.481475D+00 -0.178976D+01 -0.322233D+01
      2  -0.168181D+01 -0.340215D+01 -0.178976D+01 -0.136025D+01 -0.146786D+01
      3  -0.340215D+01  0.788912D+00 -0.322233D+01 -0.146786D+01  0.244060D+01
                61            62            63            64            65 
      1   0.289796D+01 -0.250208D+01  0.672681D+00 -0.297931D+01  0.172007D+01
      2  -0.250208D+01 -0.129460D+01  0.200639D+01  0.172007D+01 -0.133809D+01
      3   0.672681D+00  0.200639D+01 -0.501268D-01  0.170008D+01 -0.103548D+01
                66            67            68            69            70 
      1   0.170008D+01  0.183266D+01 -0.164689D+01 -0.120244D+01  0.316671D+01
      2  -0.103548D+01 -0.164689D+01  0.237408D+01  0.186784D+01 -0.181690D+01
      3  -0.188236D+01 -0.120244D+01  0.186784D+01  0.169669D+01 -0.309178D+01
                71            72            73            74            75 
      1  -0.181690D+01 -0.309178D+01  0.234321D+01 -0.365727D+01 -0.276370D+01
      2   0.276735D+01  0.240392D+01 -0.365727D+01 -0.165051D+01  0.692474D+00
      3   0.240392D+01  0.418068D+01 -0.276370D+01  0.692474D+00  0.248567D+01
                76            77            78            79            80 
      1  -0.514994D+01 -0.245784D+00  0.530350D+00 -0.337442D+01  0.358735D+00
      2  -0.245784D+00  0.657424D+01 -0.203805D+01  0.358735D+00 -0.220737D+01
      3   0.530350D+00 -0.203805D+01 -0.532429D+00  0.323387D+01 -0.489644D-03
                81            82            83            84            85 
      1   0.323387D+01  0.666904D+00 -0.535550D+00  0.952776D+00 -0.857614D+00
      2  -0.489644D-03 -0.535550D+00 -0.104110D+00 -0.194391D-01 -0.205075D+00
      3   0.494569D+01  0.952776D+00 -0.194391D-01  0.604317D+00  0.926252D-01
                86            87            88            89            90 
      1  -0.205075D+00  0.926252D-01  0.222731D+01  0.324208D+00  0.410541D+00
      2  -0.384322D+00  0.110387D+01  0.324208D+00  0.131228D+01 -0.120684D+01
      3   0.110387D+01 -0.114471D+01  0.410541D+00 -0.120684D+01  0.777699D+01
                91            92            93            94            95 
      1   0.590331D+01  0.306281D+01 -0.249086D+01  0.255421D+01  0.221759D+01
      2   0.306281D+01  0.303219D+01 -0.193341D+01  0.221759D+01  0.352816D+01
      3  -0.249086D+01 -0.193341D+01  0.233588D+01 -0.161731D+01 -0.160011D+01
                96            97            98            99           100 
      1  -0.161731D+01 -0.203286D+01 -0.163645D+01  0.217357D+01 -0.194620D+01
      2  -0.160011D+01 -0.163645D+01 -0.148634D+01  0.157693D+01 -0.470802D+01
      3   0.132350D+01  0.217357D+01  0.157693D+01 -0.252261D+01 -0.321799D+01
               101           102           103           104           105 
      1  -0.470802D+01 -0.321799D+01 -0.522033D+01 -0.187314D+01  0.119175D+01
      2  -0.120425D+01  0.938735D+00 -0.187314D+01  0.121652D+01 -0.410204D+01
      3   0.938735D+00  0.492850D+00  0.119175D+01 -0.410204D+01  0.276623D+01
               106           107           108           109           110 
      1  -0.300151D+01  0.140946D+01  0.392238D+00 -0.295536D+01 -0.437913D+01
      2   0.140946D+01 -0.343622D+01  0.253338D+01 -0.437913D+01 -0.114318D+01
      3   0.392238D+00  0.253338D+01  0.925951D+00 -0.200762D+01  0.122823D+01
               111           112           113           114           115 
      1  -0.200762D+01 -0.535304D+01 -0.274464D+01  0.157252D+01 -0.217350D+01
      2   0.122823D+01 -0.274464D+01  0.348268D+01 -0.263592D+01  0.132597D+01
      3   0.242211D+00  0.157252D+01 -0.263592D+01  0.283868D+01 -0.546064D+00
               116           117           118           119           120 
      1   0.132597D+01 -0.546064D+00  0.988233D-01 -0.103218D+01  0.461328D+00
      2  -0.313352D+01  0.337733D+01 -0.103218D+01  0.562790D+00 -0.119370D+00
      3   0.337733D+01  0.429300D+01  0.461328D+00 -0.119370D+00  0.125248D+00
               121           122           123           124           125 
      1  -0.178378D+01 -0.307127D+00  0.127328D+00  0.817639D+00  0.104775D+00
      2  -0.307127D+00 -0.107646D+02  0.135128D+00  0.104775D+00  0.357353D+00
      3   0.127328D+00  0.135128D+00 -0.999948D+00 -0.981467D-01 -0.111017D+01
               126           127           128           129           130 
      1  -0.981467D-01  0.216221D+01 -0.101566D+01 -0.196763D+01 -0.122086D+01
      2  -0.111017D+01 -0.101566D+01  0.129827D+01  0.124950D+01  0.103389D+01
      3  -0.623836D-01 -0.196763D+01  0.124950D+01  0.285713D+01  0.114417D+01
               131           132           133           134           135 
      1   0.103389D+01  0.114417D+01 -0.181802D+01  0.914443D+00  0.202188D+01
      2  -0.176053D+01 -0.171353D+01  0.914443D+00 -0.160137D+01 -0.220820D+01
      3  -0.171353D+01 -0.285878D+01  0.202188D+01 -0.220820D+01 -0.589890D+01
               136           137           138           139           140 
      1  -0.483290D+01  0.365952D+00 -0.309471D+01  0.935796D+00 -0.657668D+00
      2   0.365952D+00 -0.916774D+00  0.646774D+00 -0.657668D+00  0.681311D+00
      3  -0.309471D+01  0.646774D+00 -0.388318D+01  0.996054D+00 -0.725611D+00
               141           142           143           144           145 
      1   0.996054D+00 -0.232812D+01  0.470185D+00 -0.231106D+01 -0.353568D+01
      2  -0.725611D+00  0.470185D+00 -0.554587D+00  0.150243D+00  0.170595D+01
      3   0.970217D+00 -0.231106D+01  0.150243D+00 -0.406300D+01  0.111977D+01
               146           147           148           149           150 
      1   0.170595D+01  0.111977D+01  0.210146D+01 -0.959703D+00 -0.633340D+00
      2  -0.143721D+01 -0.974255D+00 -0.959703D+00  0.163974D+01  0.142729D+01
      3  -0.974255D+00 -0.266563D+01 -0.633340D+00  0.142729D+01  0.155212D+01
               151           152           153           154           155 
      1   0.140801D+01 -0.726102D+00 -0.126092D+01  0.642783D+01  0.290201D+01
      2  -0.726102D+00  0.130919D+01  0.898758D+00  0.290201D+01  0.236381D+01
      3  -0.126092D+01  0.898758D+00  0.227780D+01  0.267386D+01  0.106462D+01
               156           157           158           159           160 
      1   0.267386D+01  0.368396D+01  0.242434D+01  0.129498D+01  0.848307D+00
      2   0.106462D+01  0.242434D+01  0.245528D+01  0.160861D+01  0.300318D+00
      3   0.244315D+01  0.129498D+01  0.160861D+01  0.131652D+01  0.112199D+01
               161           162           163           164           165 
      1   0.300318D+00  0.112199D+01  0.103941D+01 -0.320047D+00  0.129049D+01
      2   0.627214D+00  0.497187D+00 -0.320047D+00  0.619487D+00 -0.426446D+00
      3   0.497187D+00  0.937345D+00  0.129049D+01 -0.426446D+00  0.808604D+00
               166           167           168           169           170 
      1  -0.127299D+01  0.130644D+01 -0.139617D+01  0.125176D+01 -0.710217D+00
      2   0.130644D+01 -0.401191D+01  0.323605D+01 -0.710217D+00  0.218270D+01
      3  -0.139617D+01  0.323605D+01 -0.468662D+01  0.114538D+01 -0.248555D+01
               171           172           173           174           175 
      1   0.114538D+01  0.173764D+00  0.240840D+00 -0.776632D+00 -0.467711D-01
      2  -0.248555D+01  0.240840D+00  0.662238D-01  0.114862D+00  0.765779D+00
      3   0.457123D+01 -0.776632D+00  0.114862D+00  0.323689D+00  0.300344D+00
               176           177           178           179           180 
      1   0.765779D+00  0.300344D+00 -0.242299D+01  0.876734D+00  0.134000D+01
      2  -0.160184D+01 -0.106057D+01  0.876734D+00 -0.166966D+01 -0.219461D+01
      3  -0.106057D+01 -0.187723D+01  0.134000D+01 -0.219461D+01 -0.633447D+01
               181           182           183           184           185 
      1   0.161907D+01 -0.828130D+00  0.711205D+00 -0.227955D+01  0.305179D+01
      2  -0.828130D+00  0.890974D+00 -0.466211D+00  0.305179D+01 -0.649149D+01
      3   0.711205D+00 -0.466211D+00  0.288309D+00 -0.947201D+00  0.219445D+01
               186           187           188           189           190 
      1  -0.947201D+00  0.223752D+01 -0.163412D+01  0.109084D+01  0.907326D+01
      2   0.219445D+01 -0.163412D+01  0.327578D+01 -0.207092D+01  0.191411D+01
      3  -0.206900D+01  0.109084D+01 -0.207092D+01  0.166985D+01  0.276371D+00
               191           192           193           194           195 
      1   0.191411D+01  0.276371D+00  0.535529D+01  0.202116D+01 -0.128736D+00
      2   0.166395D+01  0.326576D-01  0.202116D+01  0.142864D+01  0.334298D+00
      3   0.326576D-01  0.941428D+00 -0.128736D+00  0.334298D+00  0.606473D+00
               196           197           198           199           200 
      1   0.100757D+01 -0.745990D-01  0.110461D+01 -0.462536D+01  0.102662D+01
      2  -0.745990D-01  0.515169D+00 -0.724830D-02  0.102662D+01 -0.132703D+01
      3   0.110461D+01 -0.724830D-02 -0.902590D-01 -0.206498D+01  0.380918D+00
               201           202           203           204           205 
      1  -0.206498D+01  0.647769D+00 -0.823765D+00  0.103746D+00 -0.357859D+01
      2   0.380918D+00 -0.823765D+00  0.162611D+00 -0.426969D+00  0.317370D+00
      3  -0.180615D+01  0.103746D+00 -0.426969D+00  0.391829D+00 -0.214922D+01
               206           207           208           209           210 
      1   0.317370D+00 -0.214922D+01 -0.124152D+01  0.133307D+01 -0.667212D+00
      2  -0.144211D+01  0.924925D+00  0.133307D+01 -0.174798D+01  0.102260D+01
      3   0.924925D+00 -0.247519D+01 -0.667212D+00  0.102260D+01 -0.427139D+00
               211           212           213           214           215 
      1   0.111311D+01 -0.133576D+01  0.745406D+00 -0.120976D+01  0.131577D+01
      2  -0.133576D+01  0.769414D+01 -0.301595D+01  0.131577D+01 -0.496763D+01
      3   0.745406D+00 -0.301595D+01  0.222591D+01 -0.516215D+00  0.345237D+01
               216           217           218           219           220 
      1  -0.516215D+00  0.170594D+01  0.926735D+00  0.113270D+01  0.841232D+00
      2   0.345237D+01  0.926735D+00  0.200117D+01  0.117291D+01  0.108830D+01
      3  -0.301209D+01  0.113270D+01  0.117291D+01  0.124611D+01  0.793968D+00
               221           222           223           224           225 
      1   0.108830D+01  0.793968D+00  0.169311D+01  0.108075D+01  0.120580D+01
      2   0.430948D+01  0.181056D+01  0.108075D+01  0.333653D+01  0.270200D+01
      3   0.181056D+01  0.186287D+01  0.120580D+01  0.270200D+01  0.334390D+01
               226           227           228           229           230 
      1  -0.148794D+01  0.156548D+00 -0.902926D+00  0.809023D+00 -0.273284D+00
      2   0.156548D+00 -0.882968D-01 -0.212038D+00 -0.273284D+00 -0.667025D+00
      3  -0.902926D+00 -0.212038D+00 -0.137946D+01 -0.881955D-01 -0.538690D+00
               231           232           233           234           235 
      1  -0.881955D-01 -0.306616D+01 -0.100947D+01 -0.230079D+01 -0.910185D+01
      2  -0.538690D+00 -0.100947D+01 -0.156789D+01 -0.658880D+00  0.547906D+00
      3   0.661139D-01 -0.230079D+01 -0.658880D+00 -0.622553D+01  0.275105D+01
               236           237           238           239           240 
      1   0.547906D+00  0.275105D+01  0.340584D+01 -0.942829D+00 -0.862142D+00
      2  -0.115017D+01 -0.305363D+00 -0.942829D+00  0.305639D+00  0.662008D+00
      3  -0.305363D+00 -0.195673D+01 -0.862142D+00  0.662008D+00  0.823205D+00
               241           242           243           244           245 
      1   0.425890D+01 -0.707410D-01 -0.250718D+01 -0.226574D+00 -0.446238D+00
      2  -0.707410D-01  0.115211D+01  0.183291D+00 -0.446238D+00  0.576121D+00
      3  -0.250718D+01  0.183291D+00  0.146568D+01  0.391497D+00 -0.103982D+00
               246           247           248           249           250 
      1   0.391497D+00 -0.190257D+01 -0.204918D+01  0.284514D+00  0.111834D+01
      2  -0.103982D+00 -0.204918D+01 -0.948534D+01  0.163666D+01  0.437040D+00
      3  -0.682587D-01  0.284514D+00  0.163666D+01 -0.141586D+01 -0.675967D+00
               251           252 
      1   0.437040D+00 -0.675967D+00
      2   0.214829D+01 -0.131822D+01
      3  -0.131822D+01  0.504199D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.439985D+01 -0.328067D+01 -0.352074D+01 -0.372299D+01  0.655765D+01
      2  -0.324870D+01 -0.226438D+01 -0.660828D+01 -0.285552D+01  0.300905D+01
      3  -0.744745D+01 -0.916336D+01  0.588582D+01 -0.299085D+01  0.622534D+01
                 6             7             8             9            10 
      1   0.107640D+01 -0.467564D+01  0.565112D+01 -0.329702D+00  0.393396D+01
      2   0.423263D+01 -0.150138D+02  0.515223D+01  0.720244D-01 -0.320857D+01
      3  -0.542903D-01  0.732909D+01 -0.631255D+00  0.613016D+00  0.782041D+01
                11            12            13            14            15 
      1   0.234344D+01 -0.138022D+01  0.184186D+01 -0.367903D+01 -0.996043D+00
      2  -0.108015D+01  0.449600D+01 -0.163310D+01 -0.222543D+01 -0.195044D+01
      3  -0.442013D+01 -0.217032D+01  0.277934D+01 -0.108495D+02  0.123874D+01
                16            17            18            19            20 
      1  -0.523283D+00  0.588207D+01 -0.458401D+01  0.211081D+01  0.100520D+02
      2   0.108276D+01 -0.214607D+01  0.145989D+02 -0.217586D+01  0.121497D+01
      3  -0.235239D+01  0.272913D+01  0.198420D+01  0.280690D+01  0.380171D+01
                21            22            23            24            25 
      1   0.263026D+01  0.976886D+01 -0.319041D+01  0.578367D+01  0.412997D+01
      2   0.186301D+01  0.156998D+01  0.144977D+00 -0.490652D+00 -0.215910D+01
      3  -0.250536D+01  0.101728D+02  0.435645D+00 -0.809623D+01 -0.309738D+01
                26            27            28            29            30 
      1   0.140793D+02  0.360468D+01  0.110350D+01 -0.700855D+01 -0.476910D+01
      2  -0.145643D+01  0.155006D+01 -0.420243D+00  0.372206D+01  0.133203D+01
      3  -0.894229D+01 -0.265694D+01  0.188773D+01 -0.501532D+01 -0.182599D+01
                31            32            33            34            35 
      1  -0.658971D+01 -0.281378D+01 -0.718830D+01 -0.343443D+01 -0.643981D+00
      2   0.323349D+01  0.234758D+00  0.784849D+01 -0.487419D+01  0.973671D+01
      3   0.783581D+00 -0.383656D+01  0.566795D+01 -0.394849D+01  0.710718D+01
                36            37            38            39            40 
      1  -0.287072D+01  0.426030D+01  0.194128D+00 -0.110630D+00  0.191899D+01
      2  -0.176044D+01  0.484704D+01 -0.419362D+01  0.379759D+01 -0.582761D+01
      3  -0.349235D+01 -0.116797D+02 -0.106602D+02  0.172473D+01 -0.262216D+01
                41            42            43            44            45 
      1   0.855595D+00 -0.421590D+01 -0.880623D+00  0.430815D+01 -0.336610D+01
      2   0.655717D+01 -0.616741D+01 -0.643041D+01 -0.644105D+01 -0.598484D+01
      3   0.397543D+01 -0.496657D+01  0.106764D+01 -0.847035D+01  0.647213D+01
                46            47            48            49            50 
      1  -0.540923D+01 -0.548705D+00 -0.104946D+01  0.402667D+00 -0.547400D-01
      2  -0.212639D+01 -0.125069D+01  0.701462D+00 -0.310267D+00  0.279817D+00
      3   0.463121D+01  0.250007D+01  0.288593D+01  0.999796D+01  0.335110D+01
                51            52            53            54            55 
      1  -0.681221D+01 -0.294149D+01 -0.158141D+01  0.880579D+01  0.244854D+01
      2   0.216924D+01 -0.568128D+01 -0.401703D+00 -0.234890D+01  0.552729D+01
      3   0.461216D+00  0.608353D+01  0.268381D+00 -0.604437D+00 -0.493020D+00
                56            57            58            59            60 
      1   0.543192D+01  0.980911D+01  0.217544D+01  0.264920D+01  0.445013D+01
      2  -0.218898D+01  0.135549D+02 -0.208559D+01 -0.700137D+01 -0.103083D+02
      3  -0.144191D+01 -0.240680D+01  0.283147D+01  0.129378D+01  0.171713D+01
                61            62            63            64            65 
      1   0.869215D+01  0.759612D+01 -0.719000D+01 -0.168238D+01  0.333092D+00
      2   0.596996D+01 -0.733824D+01  0.664565D+00 -0.191837D+01  0.163026D+01
      3  -0.133621D+01  0.178280D+01  0.519305D-02 -0.122660D+01 -0.205158D+01
                66            67            68            69            70 
      1   0.296896D+01  0.146663D+01 -0.112909D+01 -0.318110D+01  0.378427D+01
      2   0.497291D+01  0.121459D+01 -0.347707D+01 -0.390328D+01  0.280535D+01
      3   0.127725D+00  0.187336D+01  0.258687D+01  0.132572D+01  0.197621D+01
                71            72            73            74            75 
      1   0.396400D+00 -0.603992D+01 -0.561319D+01 -0.464208D+00  0.379794D+01
      2  -0.410278D+01 -0.838888D+01  0.100479D+02 -0.358793D+00 -0.567086D+01
      3   0.458686D+01  0.181883D+00 -0.167008D+02 -0.119509D+01  0.630054D+01
                76            77            78            79            80 
      1   0.149838D-01 -0.305996D+01 -0.222011D+01  0.547006D+01  0.172746D+01
      2  -0.400536D+00  0.682242D+01  0.115776D+01 -0.130059D+02 -0.135003D+01
      3   0.990804D+01  0.233195D+02 -0.809637D+01  0.620538D+01 -0.739234D+01
                81            82            83            84            85 
      1   0.755987D+01  0.458117D+00 -0.193224D+00  0.731638D+00 -0.142974D+00
      2  -0.173801D+02 -0.359837D+01  0.565100D-01 -0.144551D+01  0.464024D+00
      3  -0.448425D+01 -0.211567D+01 -0.222890D+00 -0.411458D+00  0.248046D+01
                86            87            88            89            90 
      1   0.502278D+00 -0.825263D+00  0.109404D+01  0.325041D+01  0.455247D+01
      2  -0.156198D+01  0.146240D+01 -0.729806D+01  0.125725D+01 -0.140725D+02
      3   0.485090D+00  0.191991D+01 -0.150510D+01  0.223581D+01 -0.145965D+01
                91            92            93            94            95 
      1  -0.408540D+00 -0.186992D+01 -0.211740D+01 -0.401989D+00 -0.268911D+01
      2   0.430663D+01  0.794961D+00  0.277424D+01  0.188100D+01  0.711636D+00
      3   0.561724D+01 -0.277411D+01 -0.726863D+00  0.347559D+01 -0.179441D+01
                96            97            98            99           100 
      1  -0.187453D+01 -0.964414D+00  0.188497D+01  0.256365D+01 -0.100305D+02
      2   0.980410D+00 -0.188931D+01 -0.448279D+00 -0.155333D+01 -0.226756D+01
      3  -0.482237D+00 -0.197535D+01  0.247439D+00  0.120458D+01  0.883476D+01
               101           102           103           104           105 
      1  -0.195584D+01  0.180683D+01 -0.517342D+01  0.250927D+01 -0.131396D+02
      2   0.119901D+02  0.117065D+02  0.140733D+02 -0.442080D+01  0.291743D+01
      3  -0.505059D+00 -0.260148D+01  0.469703D+01 -0.242853D+01  0.820456D+01
               106           107           108           109           110 
      1   0.374388D+01 -0.633506D+01  0.595343D+01 -0.678485D+00  0.173513D+01
      2   0.598437D+01  0.158372D+01  0.377606D+00 -0.645854D+01  0.239414D+01
      3  -0.357529D+01  0.670818D+01 -0.461781D+01  0.182896D+02  0.870669D+01
               111           112           113           114           115 
      1  -0.383137D+00  0.252908D+01 -0.442466D+01  0.318068D+01 -0.219598D+01
      2   0.147905D+01  0.217907D+01 -0.878111D+01  0.108491D+02 -0.610250D+01
      3  -0.179536D+01  0.172362D+02 -0.913783D+01  0.642687D+01 -0.161257D+01
               116           117           118           119           120 
      1   0.777438D+01  0.570838D+01  0.119423D+01 -0.150686D+00 -0.404510D-01
      2   0.123938D+02  0.160427D+02 -0.428324D+00 -0.135967D+00  0.101036D+01
      3   0.697460D+01 -0.105927D+02 -0.127511D+00 -0.523978D+00 -0.595833D+00
               121           122           123           124           125 
      1   0.363863D+00  0.250826D+01 -0.594761D+01  0.171210D+00 -0.228330D+00
      2  -0.980212D-01 -0.651349D+00  0.323911D+00 -0.157647D+01  0.180978D+00
      3   0.779266D+01 -0.139379D+01 -0.155460D+00 -0.147962D+01 -0.232531D+00
               126           127           128           129           130 
      1  -0.120698D-01  0.222690D+01 -0.432604D+01 -0.179862D+01 -0.262538D+01
      2   0.656540D-02  0.756183D+01 -0.272296D+01 -0.263797D+01 -0.422006D+01
      3  -0.373293D-01 -0.161000D+01 -0.626189D+00  0.667569D+00  0.251126D+01
               131           132           133           134           135 
      1   0.415485D+01  0.718774D+00 -0.190089D+01  0.454308D+01  0.263271D+01
      2   0.252986D+01  0.235581D+01 -0.670823D+01  0.241180D+01  0.262370D+01
      3  -0.165427D+00 -0.201135D+00  0.142720D+01  0.564562D+00 -0.581987D+00
               136           137           138           139           140 
      1  -0.182395D+01  0.462517D+01 -0.256070D+01  0.184537D+01 -0.251102D+01
      2  -0.151831D+02  0.104788D+01 -0.415319D+01  0.308517D+01 -0.153210D+01
      3   0.121205D+01 -0.286109D+01  0.121456D+01  0.614323D+00  0.672537D+00
               141           142           143           144           145 
      1  -0.695312D-01 -0.168279D+01  0.294137D+01 -0.101985D+01  0.411266D+01
      2   0.202231D+01 -0.724774D+01  0.964396D+00 -0.399265D+01  0.141551D+02
      3  -0.275662D+00  0.360774D+00 -0.180414D+01  0.893421D+00 -0.544508D+01
               146           147           148           149           150 
      1  -0.505587D+01 -0.363831D+00 -0.350249D+01  0.471446D+01  0.666134D+00
      2  -0.588551D+01 -0.459159D+01 -0.726316D+01  0.488589D+01  0.304284D+01
      3   0.176799D+01  0.158172D+01  0.429187D+01 -0.257703D+01 -0.206560D+01
               151           152           153           154           155 
      1  -0.136770D+01  0.357536D+01  0.866597D+00  0.602877D+01  0.576482D+01
      2  -0.727539D+01  0.331253D+01  0.504274D+01 -0.874208D+01 -0.395372D+01
      3   0.224168D+01 -0.129697D+01 -0.174201D+01 -0.244306D+01 -0.587214D+01
               156           157           158           159           160 
      1   0.591683D+00  0.452174D+01  0.520843D+01  0.115031D+01  0.652913D+00
      2   0.206042D+01 -0.629460D+01 -0.181556D+01  0.891943D+00 -0.178217D+01
      3  -0.162610D+01 -0.113602D+01 -0.486351D+01 -0.230845D+01 -0.522855D-01
               161           162           163           164           165 
      1   0.225776D+01  0.835946D+00 -0.514737D+00  0.184660D+01 -0.800206D+00
      2  -0.476721D+00 -0.674173D+00  0.609837D+00 -0.340378D+00  0.261718D+00
      3  -0.109999D+01 -0.396254D+00  0.460661D+00 -0.188128D+01  0.934039D+00
               166           167           168           169           170 
      1   0.281371D+01 -0.105861D+02  0.460312D+01 -0.198048D+01  0.768739D+01
      2   0.177185D+01  0.335063D+01 -0.635286D+01 -0.279618D+01 -0.252309D+01
      3   0.510217D-02  0.715493D+01 -0.546692D+01  0.491015D+00 -0.431488D+01
               171           172           173           174           175 
      1  -0.548693D+01 -0.169050D+01  0.131867D+00 -0.218891D+00 -0.309934D-01
      2   0.552878D+01 -0.315244D+01  0.100289D+01  0.140353D+00  0.521649D+00
      3   0.438484D+01 -0.772344D-01 -0.111094D+01  0.656077D+00 -0.610178D+00
               176           177           178           179           180 
      1   0.284817D+00 -0.314262D+01  0.576125D-01  0.682869D+00 -0.827884D+01
      2  -0.247467D+01 -0.584184D+01 -0.224101D+01 -0.566676D+01 -0.204098D+02
      3   0.333744D+01  0.258891D+01  0.161486D+01  0.449586D+01  0.572669D+01
               181           182           183           184           185 
      1   0.114537D+01 -0.919353D+00  0.813109D+00 -0.178205D+01  0.356816D+01
      2   0.238274D+01 -0.179015D+01  0.218757D+01 -0.241511D+01  0.743938D+01
      3   0.103632D+01 -0.366161D+01  0.653167D+00 -0.358002D+01  0.164748D+02
               186           187           188           189           190 
      1  -0.613148D+01  0.113520D+01 -0.177459D+01  0.378700D+01 -0.334535D+00
      2  -0.759878D+01  0.160965D+01 -0.590164D+01  0.529363D+01  0.292537D+01
      3  -0.555542D+01  0.679359D+00 -0.854438D+01  0.507363D+01 -0.153408D+02
               191           192           193           194           195 
      1  -0.399593D+00  0.373818D+00 -0.501593D+00 -0.156542D+00 -0.101955D+01
      2   0.103490D+01  0.601128D+01  0.100152D+01  0.170543D+01  0.314307D+01
      3  -0.103817D+02 -0.491215D+00 -0.904943D+01 -0.797929D+01 -0.112855D+01
               196           197           198           199           200 
      1   0.846916D+00  0.391358D+00 -0.243786D+00  0.342048D+01  0.387927D+00
      2   0.176976D+01 -0.188597D+00  0.437458D-01  0.490050D+01 -0.910599D+00
      3  -0.450873D+00 -0.192939D+01 -0.824751D+00 -0.459463D+01 -0.385810D+01
               201           202           203           204           205 
      1   0.310297D+01 -0.110415D+00  0.421496D+00 -0.165246D+01  0.280908D+01
      2   0.688619D+01 -0.105668D+00  0.114366D+01 -0.981999D+00  0.373808D+01
      3  -0.228354D+01  0.648639D+00 -0.176345D+01 -0.512727D+00 -0.504185D+01
               206           207           208           209           210 
      1   0.523698D-03  0.459220D+01  0.105830D+01 -0.250434D+01  0.148780D+01
      2  -0.190327D+01  0.759920D+01 -0.835805D+00  0.238154D+00  0.121430D+01
      3  -0.404854D+01 -0.126278D+01 -0.336058D+01  0.771773D+00 -0.121727D+01
               211           212           213           214           215 
      1  -0.156056D+01  0.460672D+01 -0.745080D+01  0.145551D+00 -0.469131D+01
      2   0.104265D+01  0.143710D+00 -0.855020D+00 -0.203848D+01 -0.227014D-01
      3   0.477086D+01 -0.762465D+00  0.960062D+00 -0.434569D+01  0.135607D+01
               216           217           218           219           220 
      1   0.753327D+01 -0.353839D+01 -0.285731D+01 -0.468186D+01 -0.224914D+01
      2   0.678679D+00  0.151241D+00 -0.226295D+00  0.858445D+00 -0.848917D+00
      3   0.619014D-01  0.561809D+01  0.325886D+00  0.331794D+01  0.364717D+01
               221           222           223           224           225 
      1  -0.464546D+01 -0.654420D+01 -0.406730D+01 -0.512854D+01 -0.116032D+02
      2  -0.692141D+00  0.410114D+00 -0.225894D+01 -0.182934D+00 -0.871649D+00
      3   0.262210D+01  0.259957D+01  0.669776D+01  0.303484D+01  0.349155D+01
               226           227           228           229           230 
      1  -0.161968D+01  0.824716D-01 -0.212630D+01 -0.354779D+00 -0.737002D+00
      2   0.303403D+01  0.960066D+00  0.490661D+01  0.837671D+00  0.159452D+01
      3   0.214451D+01 -0.123841D+01  0.560363D+00 -0.295994D+00 -0.110048D+01
               231           232           233           234           235 
      1  -0.864548D+00 -0.269296D+01  0.209874D+01 -0.100560D+02  0.376037D+01
      2  -0.588025D+00  0.332845D+01  0.128075D+01  0.218149D+02 -0.498468D+01
      3  -0.118075D+01  0.135745D+01 -0.444216D+01  0.145809D+01  0.143096D+02
               236           237           238           239           240 
      1  -0.153114D+01 -0.244260D+01 -0.112801D+01  0.133979D+01  0.523852D+00
      2   0.969863D+00  0.828121D+01  0.116584D+01 -0.178164D+01 -0.319073D+01
      3  -0.743610D+01 -0.500075D+01 -0.550078D+01  0.301295D+01  0.310886D+01
               241           242           243           244           245 
      1  -0.272873D+01  0.213810D+01  0.148807D+01  0.481612D+00  0.136904D+00
      2   0.445033D+01 -0.784367D+00 -0.404380D+01 -0.137481D+01  0.237428D+00
      3  -0.579679D+01  0.498321D+01  0.374670D+01 -0.197665D+01  0.800526D+00
               246           247           248           249           250 
      1   0.250019D+00 -0.112290D+00 -0.196048D+00 -0.493542D+01 -0.726361D+00
      2   0.669543D+00  0.316393D+00 -0.413769D+01  0.442187D+01  0.316132D+00
      3  -0.844909D+00  0.592102D+00 -0.263236D+02  0.465210D+01 -0.962065D+00
               251           252 
      1  -0.257242D+00  0.590152D+00
      2   0.308879D+01 -0.782045D+00
      3   0.607430D+01 -0.254456D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.523989D+01  0.864345D+01 -0.108437D+02  0.654354D+01 -0.233969D+01
      2   0.370067D+01 -0.603948D+01  0.609636D+01 -0.446017D+01  0.473533D+01
      3   0.153922D+01 -0.260397D+01  0.474739D+01 -0.208337D+01 -0.239564D+01
      4   0.146905D+02 -0.496409D+01 -0.734091D-01 -0.814472D+01 -0.813459D+01
      5  -0.287107D+01 -0.483977D+01 -0.141364D+02 -0.679267D+01  0.505139D+01
      6  -0.341203D+00  0.684892D+01  0.810695D+01  0.702523D+01 -0.644463D+01
                 6             7             8             9            10 
      1  -0.891380D-03 -0.141369D+02 -0.163386D+01 -0.130066D+02 -0.828013D+00
      2  -0.137811D+01  0.948497D+01  0.225597D+01  0.676951D+01 -0.165118D+01
      3   0.137900D+01  0.465193D+01 -0.622111D+00  0.623705D+01  0.247919D+01
      4   0.750407D+01 -0.140978D+01  0.109459D+02  0.189367D+02 -0.191214D+02
      5   0.785322D+01 -0.215880D+02  0.129576D+02  0.346278D+01 -0.402611D+01
      6  -0.605463D+01  0.137755D+02 -0.737898D+01 -0.677145D+01 -0.433171D+00
                11            12            13            14            15 
      1  -0.108148D+02 -0.293732D+01 -0.148546D+02 -0.751593D+01 -0.239240D+01
      2   0.172189D+01  0.904981D+00  0.596672D+01  0.897258D+01  0.730711D+00
      3   0.909292D+01  0.203234D+01  0.888790D+01 -0.145665D+01  0.166169D+01
      4  -0.102421D+02 -0.210755D+01 -0.970954D+01  0.114236D+02 -0.524548D-01
      5   0.195449D+01  0.470526D+01  0.110365D+01 -0.770957D+00 -0.318432D+01
      6  -0.231963D+01  0.410117D+00 -0.102814D+01 -0.427982D+00 -0.187602D+01
                16            17            18            19            20 
      1  -0.183359D+01 -0.373690D+01  0.198108D+02 -0.342010D+01 -0.431201D+01
      2   0.943640D+00 -0.271783D+01  0.201024D+01  0.305964D+01  0.656007D-01
      3   0.889945D+00  0.645473D+01 -0.218210D+02  0.360459D+00  0.424641D+01
      4  -0.385725D+01 -0.424244D+01 -0.151028D+01  0.146746D+00 -0.391146D+01
      5   0.124537D+02 -0.251783D+01  0.141356D+02 -0.337734D+01  0.888228D+00
      6   0.164717D+01  0.106648D+01  0.118242D+02 -0.261951D+01 -0.143556D+02
                21            22            23            24            25 
      1   0.103332D+02 -0.668905D+01  0.178838D+02 -0.532387D+01  0.147602D+02
      2  -0.152899D+02  0.392067D+01 -0.209839D+02  0.666521D+01 -0.174762D+02
      3   0.495676D+01  0.276838D+01  0.310007D+01 -0.134134D+01  0.271597D+01
      4  -0.182116D+01  0.156438D+01  0.405380D+01 -0.128746D+02 -0.371484D+01
      5  -0.159420D+01  0.107493D+01 -0.689108D+01  0.141186D+00  0.775757D+00
      6   0.102466D+01 -0.136095D+02  0.117236D+02 -0.161322D+02 -0.279307D+01
                26            27            28            29            30 
      1  -0.813521D+01  0.156831D+02 -0.543753D+01 -0.202893D+01 -0.183139D+01
      2   0.960226D+01 -0.210714D+02  0.417932D+01  0.101013D+02  0.802882D+01
      3  -0.146705D+01  0.538831D+01  0.125821D+01 -0.807233D+01 -0.619743D+01
      4  -0.142516D+02 -0.321268D+01 -0.138838D+02 -0.132427D+02  0.125094D+02
      5  -0.713970D+00 -0.384173D+01  0.106373D+02  0.108144D+02 -0.104612D+02
      6  -0.254212D+02  0.146707D+01  0.808681D+01  0.115618D+02 -0.122344D+02
                31            32            33            34            35 
      1   0.911198D+00 -0.662955D+01  0.669814D+01 -0.223395D+01  0.125404D+02
      2   0.429334D+01  0.116938D+02 -0.459741D+01  0.691405D+01 -0.556221D+01
      3  -0.520454D+01 -0.506421D+01 -0.210074D+01 -0.468010D+01 -0.697822D+01
      4  -0.130130D+02 -0.703840D+01  0.601587D+01  0.179043D+02  0.682833D+01
      5   0.796098D+01  0.284095D+01 -0.334274D+01 -0.875377D+01 -0.328338D+01
      6   0.783709D+01  0.259574D+01 -0.591279D+01 -0.905267D+01  0.252943D+00
                36            37            38            39            40 
      1  -0.569859D+01  0.661037D+01  0.146364D+02  0.125875D+02  0.167905D+02
      2   0.781317D+01 -0.105664D+02 -0.971967D+01 -0.577114D+01 -0.884542D+01
      3  -0.211458D+01  0.395603D+01 -0.491678D+01 -0.681641D+01 -0.794512D+01
      4  -0.662357D+00  0.138909D+02  0.441104D+00 -0.931140D+01  0.282078D+01
      5  -0.402378D+00  0.137750D+02 -0.391331D+01  0.727268D+01 -0.234904D+01
      6  -0.293702D+00 -0.181362D+01  0.608560D+00  0.281922D+01  0.346420D+01
                41            42            43            44            45 
      1  -0.239106D+01 -0.141607D+01  0.143459D+02 -0.391491D+01  0.535330D+01
      2   0.107187D+01  0.541603D+01 -0.718033D+01  0.253110D+01 -0.920897D+00
      3   0.131919D+01 -0.399996D+01 -0.716555D+01  0.138381D+01 -0.443240D+01
      4  -0.458288D+01  0.920361D+01 -0.114939D+02  0.850586D+01 -0.104573D+02
      5   0.111005D+02 -0.659250D+01  0.438667D+01 -0.903833D+01 -0.457981D+01
      6  -0.993010D+00  0.695953D+01 -0.231031D+01  0.283829D+00 -0.220649D+01
                46            47            48            49            50 
      1  -0.750693D+01  0.572750D-01 -0.297081D+01  0.790699D+00  0.241976D+02
      2   0.451408D+01  0.419334D+01  0.429846D+01  0.697405D+00 -0.378009D+02
      3   0.299285D+01 -0.425062D+01 -0.132765D+01 -0.148810D+01  0.136033D+02
      4   0.355070D+01  0.275670D+01  0.273904D+01  0.325813D+01  0.181622D+01
      5  -0.569175D+01 -0.358574D+01 -0.332180D+01 -0.440243D+01 -0.710833D+01
      6   0.236571D-01  0.838669D+00 -0.427003D+01 -0.296075D+01 -0.286957D+01
                51            52            53            54            55 
      1  -0.669203D+01 -0.125119D+01 -0.168691D+01  0.338549D+00  0.557226D+01
      2  -0.346315D+00  0.394866D+01 -0.726748D+00  0.805794D+01  0.833485D+01
      3   0.703835D+01 -0.269747D+01  0.241366D+01 -0.839649D+01 -0.139071D+02
      4  -0.396524D+01  0.551944D+01  0.146095D+01  0.134305D+01  0.176491D+01
      5   0.133945D+01 -0.136450D+01  0.158964D+01 -0.161864D+01 -0.627753D+01
      6  -0.482626D+00  0.223961D+00  0.432287D+01 -0.195310D+01  0.774095D+00
                56            57            58            59            60 
      1  -0.709390D+01 -0.338739D+00 -0.649961D+01 -0.486699D+01  0.676319D+01
      2  -0.836365D+01  0.204344D+00 -0.760648D+01 -0.690822D+00  0.505278D+01
      3   0.154575D+02  0.134395D+00  0.141061D+02  0.555782D+01 -0.118160D+02
      4  -0.151435D+01 -0.186209D+01 -0.842998D+00  0.177507D+01  0.351714D+01
      5   0.138051D+01 -0.144142D+02  0.290107D+01  0.700451D+01  0.102579D+02
      6   0.388152D+01  0.157515D+02  0.733994D+01  0.897055D+00  0.210024D+01
                61            62            63            64            65 
      1  -0.297091D+01  0.677712D+00 -0.208017D+01  0.106433D+02 -0.436021D+01
      2  -0.134338D+01  0.810255D+01 -0.797440D+00 -0.566185D+01  0.511685D+00
      3   0.431428D+01 -0.878026D+01  0.287761D+01 -0.498148D+01  0.384852D+01
      4  -0.649516D+01 -0.395901D+00  0.450491D+01 -0.145250D+02  0.117361D+02
      5  -0.931933D+01  0.784812D+01  0.133303D+01 -0.117222D+02  0.640932D+01
      6   0.111147D+02 -0.132003D+01 -0.650986D+01  0.723362D+01 -0.619724D+01
                66            67            68            69            70 
      1  -0.375053D+01 -0.272782D+01 -0.364247D+01 -0.189779D+01 -0.666971D+01
      2   0.270658D+01 -0.113894D+01  0.834901D+01  0.281727D+01  0.527676D+01
      3   0.104396D+01  0.386676D+01 -0.470654D+01 -0.919480D+00  0.139295D+01
      4   0.818717D+01  0.135433D+02 -0.131326D+02 -0.104319D+02  0.139666D+02
      5   0.127407D+02  0.642167D+01 -0.868700D+01 -0.786371D+01  0.181643D+02
      6  -0.693261D+01 -0.719567D+01  0.105231D+02  0.104054D+02 -0.118513D+02
                71            72            73            74            75 
      1  -0.199991D+01  0.852492D-01 -0.220308D+02  0.175394D+02  0.191278D+02
      2   0.273301D+01 -0.631177D+01  0.224103D+02 -0.563180D+01 -0.118057D+02
      3  -0.733101D+00  0.622652D+01 -0.379483D+00 -0.119076D+02 -0.732218D+01
      4  -0.152412D+02 -0.153296D+02  0.218547D+02  0.144208D+02 -0.336554D+00
      5  -0.113523D+02 -0.199550D+02  0.226269D+02 -0.481897D+01 -0.160724D+02
      6   0.134856D+02  0.173547D+02  0.421693D+01 -0.586785D+00 -0.421002D+01
                76            77            78            79            80 
      1   0.300287D+02  0.214770D+02 -0.934009D+01  0.218794D+02 -0.640658D+01
      2  -0.177128D+02 -0.304720D+02  0.111194D+02 -0.108245D+02  0.104363D+02
      3  -0.123159D+02  0.899502D+01 -0.177935D+01 -0.110549D+02 -0.402974D+01
      4   0.961243D+01 -0.267768D+02  0.926761D+01  0.249863D+01  0.974091D+01
      5  -0.596384D+01  0.107942D+02  0.361506D+01 -0.229004D+02 -0.101137D-01
      6   0.463338D+00  0.124958D+02 -0.836804D+00 -0.676214D+01 -0.178306D+01
                81            82            83            84            85 
      1  -0.173678D+02 -0.530915D+00  0.224051D+01 -0.201284D+01  0.210322D+01
      2   0.120733D+02 -0.303348D+01 -0.619283D+00  0.312461D+00 -0.673601D+00
      3   0.529446D+01  0.356439D+01 -0.162123D+01  0.170038D+01 -0.142961D+01
      4  -0.341114D+01  0.180962D+01  0.289098D+01 -0.804541D+00  0.426308D+01
      5  -0.269848D+02  0.459415D+00 -0.448071D+00  0.556843D+01 -0.449297D+00
      6  -0.131438D+02 -0.969322D+00  0.644493D+00 -0.565009D+00  0.510492D+00
                86            87            88            89            90 
      1  -0.351941D+01  0.312414D+01 -0.509962D+01  0.309202D+01 -0.202013D+02
      2   0.106169D+01 -0.759786D+00  0.113829D+01  0.121636D+01 -0.129418D+02
      3   0.245772D+01 -0.236435D+01  0.396133D+01 -0.430838D+01  0.331431D+02
      4   0.708752D+00 -0.231675D+01 -0.297334D+01 -0.448305D+01  0.196016D+01
      5  -0.200236D+01  0.248593D+01  0.480104D+01  0.341001D+01 -0.172160D+02
      6  -0.359268D+01  0.788721D+01  0.261003D+00  0.655172D+01 -0.116349D+02
                91            92            93            94            95 
      1   0.155473D+02  0.353448D+01 -0.209049D+01  0.979782D+00 -0.396018D+01
      2  -0.824709D+01  0.101869D+01  0.288879D+01  0.244014D+01  0.975510D+01
      3  -0.730024D+01 -0.455317D+01 -0.798294D+00 -0.341993D+01 -0.579491D+01
      4   0.229852D+02  0.185005D+02 -0.113738D+02  0.156006D+02  0.161665D+02
      5  -0.193566D+02 -0.115649D+02  0.155048D+02 -0.878193D+01 -0.923014D+01
      6  -0.119454D+02 -0.110877D+02  0.999766D+01 -0.949165D+01 -0.132210D+02
                96            97            98            99           100 
      1   0.207423D+01 -0.125331D+01  0.180419D+01 -0.262702D+01 -0.287650D+01
      2  -0.148754D+01  0.239503D+01 -0.238010D+00 -0.513786D+01  0.443247D+01
      3  -0.586682D+00 -0.114172D+01 -0.156618D+01  0.776488D+01 -0.155597D+01
      4  -0.859346D+01 -0.956801D+01 -0.821817D+01  0.912036D+01 -0.192426D+02
      5   0.677020D+01  0.134740D+02  0.849929D+01 -0.115083D+02 -0.156940D+02
      6   0.101463D+02  0.930791D+01  0.101863D+02 -0.113291D+02 -0.164701D+02
               101           102           103           104           105 
      1  -0.196540D+02 -0.138768D+02 -0.232661D+02  0.253347D+01 -0.798065D+01
      2   0.445976D+01  0.282786D+01  0.567588D+01  0.879071D+01 -0.636900D+01
      3   0.151942D+02  0.110490D+02  0.175902D+02 -0.113242D+02  0.143497D+02
      4  -0.816051D+01 -0.201273D+01 -0.109775D+02  0.249147D+01 -0.144779D+02
      5  -0.115003D+02 -0.766025D+01 -0.118937D+02 -0.157517D+02  0.981623D+01
      6  -0.641017D+01  0.304791D+01 -0.964335D+01  0.697603D+01 -0.196795D+02
               106           107           108           109           110 
      1  -0.112959D+02 -0.345675D+01 -0.211714D+01 -0.241270D+02 -0.291724D+02
      2   0.271828D+01 -0.672797D+01 -0.519714D+01  0.171410D+02  0.178662D+02
      3   0.857758D+01  0.101847D+02  0.731428D+01  0.698604D+01  0.113061D+02
      4   0.250081D+01 -0.101299D+02  0.103257D+02 -0.274641D+02 -0.284635D+01
      5  -0.711242D+01  0.109668D+02  0.556044D+01 -0.102562D+02  0.736987D+01
      6   0.701958D+01 -0.137937D+02  0.134940D+02  0.614105D+01 -0.275217D+01
               111           112           113           114           115 
      1  -0.979845D+01 -0.381003D+02 -0.354890D+01  0.190343D+01 -0.103570D+02
      2   0.208117D+01  0.246119D+02 -0.731173D+01  0.661593D+01  0.795622D+00
      3   0.771728D+01  0.134884D+02  0.108606D+02 -0.851936D+01  0.956135D+01
      4   0.797365D+01 -0.107612D+02  0.170674D+02 -0.151022D+02  0.968708D+01
      5   0.859522D+00  0.884827D+01 -0.138036D+02  0.151725D+02 -0.261427D+01
      6   0.299291D+00 -0.450409D+01  0.907215D+01 -0.853371D+01  0.384121D+01
               116           117           118           119           120 
      1   0.159500D+01  0.664944D+01  0.559628D-01  0.182016D+01 -0.415977D+00
      2   0.865893D+01 -0.663691D+01  0.377623D+01 -0.262731D+01 -0.500976D+00
      3  -0.102539D+02 -0.125318D-01 -0.383220D+01  0.807149D+00  0.916953D+00
      4  -0.159824D+02  0.162448D+02 -0.120970D+00  0.998631D+01 -0.957575D+00
      5   0.174166D+02  0.207904D+02  0.488021D+00  0.432455D+00  0.280458D+01
      6  -0.807485D+01 -0.876414D+01  0.165231D+00 -0.223055D+00 -0.117507D+00
               121           122           123           124           125 
      1   0.545627D+00 -0.293513D+02 -0.484186D+00 -0.639474D+00  0.468162D+00
      2   0.118685D+01  0.535705D+02 -0.690883D+00 -0.851048D+00 -0.190295D+01
      3  -0.173248D+01 -0.242191D+02  0.117507D+01  0.149052D+01  0.143479D+01
      4   0.899010D+01  0.128061D+01  0.248870D+00 -0.180733D+01 -0.546340D+00
      5   0.168533D+00  0.122267D+01  0.196960D+00  0.219347D+01  0.651165D-01
      6   0.350785D+00  0.486264D+01  0.747538D+01  0.633941D+00  0.810246D+01
               126           127           128           129           130 
      1  -0.426154D+01  0.250033D+00  0.184408D+01  0.727875D+01  0.206208D+01
      2   0.345495D+01 -0.716279D+01  0.307649D+01  0.792194D+01  0.173378D+01
      3   0.806584D+00  0.691276D+01 -0.492058D+01 -0.152007D+02 -0.379586D+01
      4   0.233022D+00 -0.477433D+01  0.369725D+01  0.332640D+01  0.422875D+01
      5   0.122768D+01 -0.849712D+01  0.405324D+01  0.122950D+02  0.423010D+01
      6   0.383464D+00  0.495919D+01 -0.612118D+01 -0.774706D+01 -0.550290D+01
               131           132           133           134           135 
      1  -0.610293D+01 -0.942116D+01  0.380760D+01 -0.655012D+01 -0.172485D+02
      2   0.202283D+00 -0.381101D+01  0.532600D+01 -0.390449D+01 -0.155655D+02
      3   0.590064D+01  0.132322D+02 -0.913361D+01  0.104546D+02  0.328140D+02
      4  -0.359237D+01 -0.326635D+01  0.314665D+01 -0.289907D+01 -0.434136D+01
      5  -0.478473D+01 -0.530933D+01  0.106579D+02 -0.500118D+01 -0.122806D+02
      6   0.109105D+02  0.129151D+02 -0.595866D+01  0.102088D+02  0.149145D+02
               136           137           138           139           140 
      1   0.189323D+01  0.182349D+01 -0.659495D+01  0.160794D+01 -0.175618D+01
      2  -0.106685D+02  0.125896D+01 -0.114139D+02  0.234104D+01  0.767616D+00
      3   0.877531D+01 -0.308244D+01  0.180088D+02 -0.394898D+01  0.988566D+00
      4   0.891574D+00  0.407487D+01 -0.171286D+00  0.355486D+01 -0.831421D+00
      5   0.186074D+02 -0.190075D+01  0.175258D+02 -0.377221D+01  0.231478D+01
      6  -0.236452D+01  0.443439D+01 -0.354231D+01  0.276612D+01 -0.383398D+01
               141           142           143           144           145 
      1   0.231597D+01 -0.198172D+01  0.834649D+00 -0.881872D+01 -0.729242D+01
      2   0.186049D+01 -0.773136D+01 -0.263835D+00 -0.119523D+02  0.165336D+01
      3  -0.417645D+01  0.971308D+01 -0.570814D+00  0.207710D+02  0.563906D+01
      4   0.112303D+01  0.394664D+00  0.163781D+01 -0.643556D+00  0.197869D+01
      5  -0.436540D+01  0.138295D+02 -0.217849D+01  0.138778D+02 -0.872179D+01
      6   0.579944D+01 -0.258735D+01  0.490907D+01 -0.177785D+01  0.625717D+01
               146           147           148           149           150 
      1   0.835562D+01  0.110598D+02  0.856557D+01 -0.827596D+01 -0.657479D+01
      2  -0.263871D+01  0.363675D+01 -0.340617D+01  0.331813D+01 -0.116554D+01
      3  -0.571691D+01 -0.146966D+02 -0.515939D+01  0.495783D+01  0.774032D+01
      4   0.357691D+00 -0.839224D+00  0.261562D+01  0.927591D+00  0.295589D+01
      5   0.386378D+01  0.160869D+01  0.599801D+01 -0.368436D+00 -0.744414D+00
      6  -0.612196D+01 -0.623130D+01 -0.331504D+01  0.686408D+01  0.926926D+01
               151           152           153           154           155 
      1   0.690989D+01 -0.585934D+01 -0.109737D+02  0.279495D+02  0.947690D+01
      2   0.108889D+01  0.896234D+00 -0.306128D+01 -0.162316D+02 -0.292549D+01
      3  -0.799878D+01  0.496310D+01  0.140350D+02 -0.117179D+02 -0.655142D+01
      4  -0.383643D+00  0.144983D+01  0.587878D-01  0.186968D+02  0.149908D+02
      5   0.587454D+01 -0.229742D+01 -0.249015D+01  0.275706D+02  0.122700D+02
      6  -0.501997D+01  0.823611D+01  0.579734D+01  0.118526D+02  0.102179D+02
               156           157           158           159           160 
      1   0.567054D+01  0.125198D+02  0.375818D+01  0.143580D+01  0.439580D+00
      2  -0.897994D+01 -0.479917D+01  0.553434D+00 -0.316611D+01 -0.379791D+01
      3   0.330941D+01 -0.772060D+01 -0.431161D+01  0.173031D+01  0.335833D+01
      4   0.708686D+01  0.162688D+02  0.142974D+02  0.789403D+01  0.189036D+01
      5   0.185892D+02  0.152302D+02  0.111220D+02  0.933515D+01  0.100487D+02
      6   0.605267D+01  0.100713D+02  0.957032D+01  0.932128D+01  0.352987D+01
               161           162           163           164           165 
      1  -0.923115D-01  0.110936D+01  0.204421D+01 -0.256103D+00  0.304057D+01
      2  -0.105155D+01 -0.414816D+01 -0.334517D+01  0.180676D+01 -0.413903D+01
      3   0.114386D+01  0.303880D+01  0.130097D+01 -0.155066D+01  0.109846D+01
      4   0.281207D+01  0.309862D+01 -0.162926D+01  0.547467D+01 -0.272178D+01
      5   0.394774D+01  0.709541D+01  0.720975D+01 -0.318884D+01  0.888146D+01
      6   0.556258D+01  0.262859D+01 -0.206508D+01  0.295337D+01 -0.240576D+01
               166           167           168           169           170 
      1  -0.654044D+00 -0.799470D+01  0.108716D+02  0.145836D+01  0.613347D+01
      2   0.353442D+01  0.129640D+00  0.835811D+01 -0.492995D+01  0.506866D+01
      3  -0.288038D+01  0.786506D+01 -0.192297D+02  0.347159D+01 -0.112021D+02
      4   0.798423D+01 -0.132030D+02  0.103422D+02 -0.323523D+01  0.698621D+01
      5  -0.913922D+01  0.108588D+02 -0.160555D+02  0.959839D+01 -0.810402D+01
      6   0.651274D+01 -0.211831D+02  0.199919D+02 -0.381943D+01  0.142884D+02
               171           172           173           174           175 
      1  -0.119129D+02  0.249342D+01  0.119637D+01 -0.324593D+01  0.145241D+01
      2  -0.117510D+02 -0.319770D+01 -0.162206D-01  0.269222D+01 -0.171208D+01
      3   0.236639D+02  0.704274D+00 -0.118015D+01  0.553712D+00  0.259668D+00
      4  -0.764466D+01  0.957148D+00  0.173089D+01  0.271088D+01  0.584480D+01
      5   0.152136D+02 -0.312493D+01  0.139170D+01  0.561803D+01  0.247113D+01
      6  -0.153046D+02  0.173374D+01 -0.382408D+00 -0.143631D+01 -0.158673D+01
               176           177           178           179           180 
      1  -0.180550D+01 -0.275001D+01 -0.104807D+02 -0.185516D+01 -0.669007D+01
      2   0.371228D+01  0.124967D+01  0.610854D+01  0.201222D+01 -0.499663D+01
      3  -0.190679D+01  0.150034D+01  0.437212D+01 -0.157054D+00  0.116867D+02
      4  -0.824743D+01 -0.516702D+01  0.801938D+01 -0.960509D+01 -0.112891D+02
      5  -0.507956D+01 -0.101967D+02  0.127378D+02 -0.121474D+02 -0.335247D+02
      6   0.502799D+01  0.950924D+01 -0.440529D+01  0.103234D+02  0.169535D+02
               181           182           183           184           185 
      1   0.971099D+01 -0.376580D+01  0.359847D+01 -0.639098D+01 -0.288807D+01
      2  -0.241935D+01 -0.815754D+00 -0.688488D+00 -0.492133D+01  0.230866D+02
      3  -0.729163D+01  0.458155D+01 -0.290998D+01  0.113123D+02 -0.201985D+02
      4  -0.708849D+01  0.113994D+02 -0.493582D+01  0.223917D+02 -0.371263D+02
      5   0.394849D+01 -0.387562D+01  0.385950D+01 -0.610443D+01  0.116519D+02
      6  -0.284078D+01  0.117382D+01 -0.746375D+00  0.383774D+01 -0.959290D+01
               186           187           188           189           190 
      1   0.151411D+01  0.893323D+01  0.110391D+01 -0.195702D+01  0.681120D+02
      2  -0.676517D+01 -0.127864D+01 -0.920473D+01  0.285546D+01 -0.371041D+02
      3   0.525106D+01 -0.765459D+01  0.810082D+01 -0.898438D+00 -0.310079D+02
      4   0.124319D+02 -0.125174D+02  0.185431D+02 -0.112313D+02  0.744412D+01
      5  -0.123869D+02  0.777330D+01 -0.114870D+02  0.964151D+01 -0.961618D+00
      6   0.942120D+01 -0.461830D+01  0.951827D+01 -0.780672D+01 -0.153487D+01
               191           192           193           194           195 
      1   0.159669D+02  0.184986D+01  0.358757D+02  0.114373D+02  0.439827D+00
      2  -0.105532D+02 -0.857480D+00 -0.197913D+02 -0.451185D+01 -0.814963D+00
      3  -0.541367D+01 -0.992385D+00 -0.160844D+02 -0.692541D+01  0.375136D+00
      4   0.121939D+02  0.736828D-01  0.132664D+02  0.104868D+02  0.208527D+01
      5  -0.537871D+00  0.926715D+01 -0.187575D+01  0.132594D+01  0.525453D+01
      6  -0.804798D+00 -0.104043D+01 -0.791053D+00 -0.162617D+01  0.157439D+01
               196           197           198           199           200 
      1   0.627713D+01  0.465475D+00  0.496217D+01  0.248463D+02 -0.368148D+01
      2  -0.284890D+01 -0.159307D+01 -0.340335D+01 -0.128658D+02 -0.285026D-01
      3  -0.342823D+01  0.112760D+01 -0.155883D+01 -0.119805D+02  0.370998D+01
      4  -0.636548D+00  0.308510D+01  0.827375D-01 -0.148302D+02  0.103115D+02
      5   0.953878D+01  0.851099D+00  0.113804D+00  0.130588D+02 -0.229724D+01
      6  -0.371276D+00  0.211970D+01  0.938346D+00 -0.470889D+01  0.803102D+00
               201           202           203           204           205 
      1   0.101241D+02 -0.484768D+00  0.234713D+01  0.656274D+00  0.170908D+02
      2  -0.581646D+01 -0.123552D+01 -0.486117D+00 -0.883463D+00 -0.100617D+02
      3  -0.430760D+01  0.172028D+01 -0.186101D+01  0.227189D+00 -0.702908D+01
      4  -0.606018D+01  0.770983D+01 -0.307059D+01  0.308823D+01 -0.100577D+02
      5   0.116354D+02 -0.390493D+00  0.305006D+01 -0.224881D+01  0.139026D+02
      6  -0.452474D+01  0.173505D+01 -0.141438D+01  0.377007D+01 -0.635427D+01
               206           207           208           209           210 
      1   0.314654D-01  0.721416D+01 -0.128654D+01  0.482776D+01 -0.283642D+01
      2  -0.229825D+01 -0.667078D+01  0.487450D+01 -0.895273D+01  0.390715D+01
      3   0.226678D+01 -0.543388D+00 -0.358796D+01  0.412497D+01 -0.107074D+01
      4   0.764274D+01 -0.947315D+01 -0.673421D+01  0.123312D+02 -0.470335D+01
      5  -0.536118D+01  0.130788D+02  0.229108D+01 -0.375510D+01  0.435089D+01
      6   0.402257D+01 -0.590404D+01 -0.495641D+01  0.694527D+01 -0.369349D+01
               211           212           213           214           215 
      1   0.326246D+01 -0.300178D+02  0.124428D+02 -0.350887D+01  0.201550D+02
      2  -0.673340D+01  0.458574D+02 -0.158964D+02  0.535094D+01 -0.251309D+02
      3   0.347094D+01 -0.158396D+02  0.345358D+01 -0.184206D+01  0.497590D+01
      4   0.851616D+01 -0.116798D+02  0.570462D+01 -0.533352D+01  0.850354D+01
      5  -0.230102D+01  0.461424D+01 -0.250750D+01  0.389006D+01 -0.458590D+01
      6   0.532917D+01 -0.247865D+02  0.177283D+02 -0.398990D+01  0.254771D+02
               216           217           218           219           220 
      1  -0.156036D+02 -0.971351D+00 -0.529912D+01 -0.323036D+01 -0.291404D+01
      2   0.129012D+02  0.325111D+01  0.111259D+02  0.510165D+01  0.605718D+01
      3   0.270240D+01 -0.227976D+01 -0.582676D+01 -0.187129D+01 -0.314314D+01
      4  -0.450306D+01  0.789981D+01  0.854881D+01  0.508714D+01  0.617999D+01
      5   0.432714D+01  0.297807D+01  0.194924D+01  0.384547D+01  0.149079D+01
      6  -0.200681D+02  0.558115D+01  0.596018D+01  0.488007D+01  0.508756D+01
               221           222           223           224           225 
      1  -0.161589D+02 -0.656897D+01 -0.575450D+01 -0.126729D+02 -0.115769D+02
      2   0.250429D+02  0.935455D+01  0.547878D+01  0.179667D+02  0.109136D+02
      3  -0.888397D+01 -0.278558D+01  0.275730D+00 -0.529375D+01  0.663304D+00
      4   0.653763D+01  0.421879D+01  0.675667D+01  0.546171D+01  0.465660D+01
      5   0.220101D+01  0.127827D+01  0.379424D+01  0.157160D+01  0.293375D+01
      6   0.110804D+02  0.129477D+02  0.588946D+01  0.176543D+02  0.167892D+02
               226           227           228           229           230 
      1   0.105147D+02 -0.598669D+00  0.471832D+01 -0.522272D+01 -0.224594D+01
      2  -0.791902D+01  0.426912D+00 -0.345142D+01  0.361792D+01  0.331003D+01
      3  -0.259568D+01  0.171757D+00 -0.126690D+01  0.160480D+01 -0.106410D+01
      4   0.187595D+01  0.159887D+01  0.279743D+01  0.212402D+01  0.346260D+01
      5   0.578096D+01  0.156151D+01  0.124170D+02  0.552674D+00  0.288710D+01
      6   0.225504D+01  0.716351D+00  0.376943D+01  0.114575D+01  0.429636D+00
               231           232           233           234           235 
      1  -0.315685D-02  0.149127D+02  0.141660D+01  0.560233D+01  0.674557D+02
      2   0.839975D+00 -0.879138D+01  0.165802D+01 -0.115754D+02 -0.390715D+02
      3  -0.836818D+00 -0.612129D+01 -0.307461D+01  0.597310D+01 -0.283842D+02
      4   0.344687D+01  0.960211D+01  0.102379D+02  0.572702D+01  0.706221D+01
      5  -0.165468D+00  0.185540D+02  0.409072D+01  0.378337D+02 -0.258189D+02
      6   0.381073D+01  0.614729D+01  0.539178D+01  0.167719D+02 -0.429693D+01
               236           237           238           239           240 
      1  -0.640366D+01 -0.186407D+02 -0.224671D+02  0.454833D+01  0.582310D+01
      2   0.580020D+01  0.128931D+02  0.139147D+02 -0.119056D+01 -0.529011D+01
      3   0.603458D+00  0.574759D+01  0.855240D+01 -0.335777D+01 -0.532984D+00
      4   0.973196D+01 -0.138812D+01  0.586682D+01 -0.308016D+01 -0.379265D+01
      5   0.229629D+01  0.185232D+02  0.813754D+01 -0.473764D+01 -0.681253D+01
      6  -0.843225D+00  0.419442D+01 -0.422198D+00 -0.142410D+00  0.563776D+00
               241           242           243           244           245 
      1  -0.266023D+02  0.242749D+01  0.125927D+02  0.204314D+01  0.539674D+01
      2   0.178232D+02 -0.395754D+01 -0.120534D+02  0.720841D+00 -0.446115D+01
      3   0.877909D+01  0.153004D+01 -0.539319D+00 -0.276399D+01 -0.935591D+00
      4  -0.382294D+01 -0.735726D+01  0.114033D+01  0.185370D+01  0.415246D+01
      5   0.221987D+02 -0.154574D+01 -0.133307D+02 -0.238002D+01 -0.422422D+00
      6   0.401298D+01  0.246100D+01 -0.142091D+01 -0.192051D+01  0.617482D+00
               246           247           248           249           250 
      1  -0.310054D+01  0.627261D+01 -0.208013D+02  0.479268D+01 -0.518162D+01
      2   0.177526D+01  0.296302D+01  0.447273D+02 -0.667686D+01  0.188717D+01
      3   0.132528D+01 -0.923563D+01 -0.239259D+02  0.188418D+01  0.329445D+01
      4  -0.102496D+01  0.178901D+02  0.479399D+02 -0.835288D+01 -0.458008D+01
      5   0.190360D+01 -0.237346D+01 -0.882444D+01  0.825929D+01  0.565103D+01
      6  -0.656547D+00 -0.277075D+01 -0.129147D+02  0.100278D+02  0.242830D+01
               251           252 
      1   0.526463D+01 -0.200348D+01
      2  -0.784898D+01  0.259961D+01
      3   0.258435D+01 -0.596128D+00
      4  -0.104896D+02  0.627681D+01
      5   0.634869D+01 -0.223789D+01
      6   0.979176D+01 -0.444188D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 21:49:38 2021, MaxMem=  5637144576 cpu:           68399.0 elap:            8633.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.02023 -10.01333 -10.01138 -10.00965 -10.00576
 Alpha  occ. eigenvalues --  -10.00538 -10.00215  -9.99882  -9.99810  -9.99684
 Alpha  occ. eigenvalues --   -0.94955  -0.85747  -0.82266  -0.80620  -0.75494
 Alpha  occ. eigenvalues --   -0.73725  -0.69331  -0.66421  -0.64178  -0.57607
 Alpha  occ. eigenvalues --   -0.56434  -0.55397  -0.53047  -0.50679  -0.50035
 Alpha  occ. eigenvalues --   -0.48626  -0.47295  -0.46197  -0.45623  -0.44025
 Alpha  occ. eigenvalues --   -0.43903  -0.42460  -0.42092  -0.41152  -0.40018
 Alpha  occ. eigenvalues --   -0.37915  -0.35864  -0.35488  -0.34101
 Alpha virt. eigenvalues --    0.02968   0.03737   0.03840   0.03936   0.05411
 Alpha virt. eigenvalues --    0.05588   0.05699   0.05820   0.05936   0.07661
 Alpha virt. eigenvalues --    0.07871   0.08012   0.08280   0.08300   0.08953
 Alpha virt. eigenvalues --    0.09428   0.10787   0.11173   0.12003   0.12808
 Alpha virt. eigenvalues --    0.13040   0.13180   0.13602   0.13767   0.14423
 Alpha virt. eigenvalues --    0.14617   0.14692   0.15106   0.15480   0.15845
 Alpha virt. eigenvalues --    0.16145   0.16386   0.16836   0.17128   0.17610
 Alpha virt. eigenvalues --    0.17999   0.18290   0.18787   0.19134   0.19769
 Alpha virt. eigenvalues --    0.20076   0.20337   0.20722   0.21020   0.21534
 Alpha virt. eigenvalues --    0.21978   0.22341   0.22557   0.23351   0.23603
 Alpha virt. eigenvalues --    0.23896   0.24230   0.24910   0.25472   0.25660
 Alpha virt. eigenvalues --    0.26040   0.26153   0.27286   0.27851   0.28146
 Alpha virt. eigenvalues --    0.28608   0.29198   0.30138   0.30287   0.31295
 Alpha virt. eigenvalues --    0.31494   0.31687   0.32248   0.33493   0.33998
 Alpha virt. eigenvalues --    0.34634   0.35097   0.35430   0.36253   0.36495
 Alpha virt. eigenvalues --    0.36867   0.37926   0.38377   0.38650   0.38918
 Alpha virt. eigenvalues --    0.39287   0.40326   0.41007   0.41390   0.41626
 Alpha virt. eigenvalues --    0.41909   0.43079   0.43251   0.43958   0.44255
 Alpha virt. eigenvalues --    0.44776   0.44992   0.45314   0.45885   0.46186
 Alpha virt. eigenvalues --    0.46648   0.46813   0.47213   0.47624   0.48675
 Alpha virt. eigenvalues --    0.49051   0.49640   0.50340   0.52104   0.52547
 Alpha virt. eigenvalues --    0.52729   0.53636   0.53924   0.54665   0.55609
 Alpha virt. eigenvalues --    0.55783   0.56338   0.56928   0.57574   0.58373
 Alpha virt. eigenvalues --    0.58846   0.58983   0.59647   0.59974   0.61108
 Alpha virt. eigenvalues --    0.61339   0.61922   0.62314   0.62720   0.63263
 Alpha virt. eigenvalues --    0.63527   0.63896   0.64184   0.64902   0.65741
 Alpha virt. eigenvalues --    0.66336   0.67317   0.67712   0.67829   0.68663
 Alpha virt. eigenvalues --    0.69352   0.70157   0.70730   0.71113   0.71285
 Alpha virt. eigenvalues --    0.71611   0.72708   0.72981   0.73432   0.73846
 Alpha virt. eigenvalues --    0.74671   0.74913   0.75409   0.75897   0.77096
 Alpha virt. eigenvalues --    0.77407   0.77488   0.77898   0.78190   0.79045
 Alpha virt. eigenvalues --    0.79539   0.80146   0.80617   0.81614   0.81981
 Alpha virt. eigenvalues --    0.82632   0.83527   0.83996   0.84372   0.84871
 Alpha virt. eigenvalues --    0.85211   0.85801   0.86614   0.87737   0.88196
 Alpha virt. eigenvalues --    0.88730   0.89282   0.89567   0.89976   0.91173
 Alpha virt. eigenvalues --    0.92263   0.93411   0.93524   0.94638   0.95374
 Alpha virt. eigenvalues --    0.95923   0.97301   0.97311   0.99370   1.00479
 Alpha virt. eigenvalues --    1.01459   1.03005   1.04283   1.05636   1.06022
 Alpha virt. eigenvalues --    1.06842   1.07432   1.09050   1.10254   1.11452
 Alpha virt. eigenvalues --    1.12008   1.13859   1.15152   1.15716   1.16954
 Alpha virt. eigenvalues --    1.18075   1.18604   1.19618   1.20507   1.23698
 Alpha virt. eigenvalues --    1.25331   1.26448   1.27619   1.29011   1.29359
 Alpha virt. eigenvalues --    1.30943   1.32290   1.34290   1.37375   1.37992
 Alpha virt. eigenvalues --    1.39532   1.39725   1.41365   1.44114   1.46485
 Alpha virt. eigenvalues --    1.48059   1.48718   1.49763   1.50478   1.51497
 Alpha virt. eigenvalues --    1.52707   1.53582   1.55180   1.56336   1.57068
 Alpha virt. eigenvalues --    1.58300   1.60222   1.62105   1.63613   1.64904
 Alpha virt. eigenvalues --    1.65942   1.66928   1.67946   1.68570   1.69204
 Alpha virt. eigenvalues --    1.70424   1.71238   1.72380   1.72973   1.75104
 Alpha virt. eigenvalues --    1.76260   1.76891   1.78754   1.79198   1.79562
 Alpha virt. eigenvalues --    1.82011   1.83456   1.85595   1.86533   1.86982
 Alpha virt. eigenvalues --    1.88160   1.89164   1.89872   1.90155   1.91152
 Alpha virt. eigenvalues --    1.92921   1.94432   1.94757   1.95527   1.97438
 Alpha virt. eigenvalues --    1.97681   1.98878   1.99987   2.01288   2.01820
 Alpha virt. eigenvalues --    2.03433   2.05817   2.06071   2.06833   2.08021
 Alpha virt. eigenvalues --    2.08929   2.10463   2.11494   2.12349   2.14079
 Alpha virt. eigenvalues --    2.15167   2.16510   2.18093   2.18641   2.20734
 Alpha virt. eigenvalues --    2.21648   2.22924   2.23344   2.24511   2.26324
 Alpha virt. eigenvalues --    2.26698   2.27926   2.28703   2.29706   2.30678
 Alpha virt. eigenvalues --    2.32394   2.32628   2.34572   2.34744   2.36225
 Alpha virt. eigenvalues --    2.37066   2.38152   2.39279   2.39843   2.41633
 Alpha virt. eigenvalues --    2.44108   2.44941   2.45395   2.47325   2.48288
 Alpha virt. eigenvalues --    2.50316   2.52247   2.52688   2.55252   2.55685
 Alpha virt. eigenvalues --    2.56692   2.57939   2.60146   2.61945   2.63572
 Alpha virt. eigenvalues --    2.64054   2.65916   2.66964   2.67630   2.68927
 Alpha virt. eigenvalues --    2.70606   2.71925   2.74570   2.75492   2.77980
 Alpha virt. eigenvalues --    2.79767   2.81340   2.83933   2.85396   2.87822
 Alpha virt. eigenvalues --    2.90091   2.91293   2.92729   2.95041   2.97703
 Alpha virt. eigenvalues --    3.00374   3.05144   3.06834   3.17221   3.21948
 Alpha virt. eigenvalues --    3.23577   3.33738   3.45766   3.49015   4.29466
 Alpha virt. eigenvalues --    4.42941   4.48277   4.78685
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.204725  -3.327056  -1.467518   1.612255  -0.840423   1.967723
     2  C   -3.327056  15.217912   1.031665  -2.230476   2.449349  -5.726655
     3  C   -1.467518   1.031665   7.542810  -2.148515   0.647240  -1.258142
     4  C    1.612255  -2.230476  -2.148515  16.174933  -5.828342   5.732907
     5  C   -0.840423   2.449349   0.647240  -5.828342  18.856935  -7.567165
     6  C    1.967723  -5.726655  -1.258142   5.732907  -7.567165  24.221406
     7  C   -1.329571  -0.106663   0.672475  -5.065356   2.465939  -7.099799
     8  H   -1.194343   0.377215   0.344885  -0.216432   0.041092  -0.080674
     9  C   -0.323215  -0.519225   0.137633  -0.288563  -0.132425  -0.348647
    10  H    0.710652  -2.141115   0.035594  -0.177345   0.020006   0.051209
    11  H   -0.114940   0.267798   0.506910  -2.802565   0.406045  -0.575602
    12  C   -0.411397  -0.188102  -0.073419   1.703642  -3.113170   1.991047
    13  C    0.277217  -0.142214  -0.309439  -0.433990  -1.497472  -0.861421
    14  H    0.068000   0.429337   0.066301  -0.388277   0.196061  -3.986745
    15  H   -0.140029   0.093525   0.060554   0.243347   0.223606  -0.095362
    16  H    0.200510   0.542726   0.028806  -1.066142   0.473613  -1.445588
    17  H   -0.034797  -0.083396  -0.144695  -0.341770   0.867646  -0.456599
    18  H    0.018268  -0.036247   0.084820  -0.052446  -0.161789   0.210959
    19  H   -0.015816   0.234495   0.002307   0.033028   0.307153  -0.306374
    20  H    0.008277   0.107645   0.000355   0.076666   1.148188   0.041649
    21  H   -0.005793   0.002285  -0.030740  -0.013245  -0.154179  -0.269056
    22  H    0.012566  -0.063418   0.026832  -0.143625  -0.133504   0.113132
    23  H   -0.219238   0.376723   0.106656   0.020139  -0.042192  -0.301124
    24  H   -0.043332   0.071838  -0.206167  -0.047755   0.358059  -0.150661
    25  H    0.492462  -0.046053  -0.445926   0.047742  -0.045421  -0.204909
    26  H   -0.223651   0.030056   0.103692  -0.121018   0.137721  -0.448697
    27  H    0.139924  -0.088617  -0.023014   0.061000  -0.143322   0.239052
    28  H   -0.074496   0.237308  -0.026804  -0.015822   0.073964  -0.026856
               7          8          9         10         11         12
     1  C   -1.329571  -1.194343  -0.323215   0.710652  -0.114940  -0.411397
     2  C   -0.106663   0.377215  -0.519225  -2.141115   0.267798  -0.188102
     3  C    0.672475   0.344885   0.137633   0.035594   0.506910  -0.073419
     4  C   -5.065356  -0.216432  -0.288563  -0.177345  -2.802565   1.703642
     5  C    2.465939   0.041092  -0.132425   0.020006   0.406045  -3.113170
     6  C   -7.099799  -0.080674  -0.348647   0.051209  -0.575602   1.991047
     7  C   12.450082   0.231715   0.424880   0.340066   1.028487  -1.241768
     8  H    0.231715   2.939022   0.281762  -0.310811  -0.002954   0.013094
     9  C    0.424880   0.281762   6.012481  -0.341628   0.004730  -0.046473
    10  H    0.340066  -0.310811  -0.341628   3.547966   0.003500  -0.123429
    11  H    1.028487  -0.002954   0.004730   0.003500   3.449328  -0.319992
    12  C   -1.241768   0.013094  -0.046473  -0.123429  -0.319992   7.645098
    13  C    0.739082  -0.027321  -0.037879   0.001830   0.094107  -0.838673
    14  H    1.380006  -0.001255  -0.009856   0.041089  -0.004152  -0.363087
    15  H   -0.853001  -0.001983   0.010678   0.049353  -0.119364   0.172253
    16  H    0.524622   0.032228  -0.115848  -0.020269   0.169324  -0.261355
    17  H    0.242497   0.009147  -0.016802  -0.064982  -0.025470  -0.430294
    18  H   -0.022924   0.005672   0.016452   0.008768   0.021407   0.092154
    19  H    0.000669   0.007400   0.022621  -0.001405   0.001311   0.104806
    20  H   -0.402551  -0.003346  -0.027171   0.009401  -0.070721  -0.082165
    21  H    0.163483   0.000962   0.008910   0.014916   0.022546   0.062186
    22  H    0.058823   0.001397   0.008304  -0.016361  -0.004789   0.083331
    23  H    0.075027  -0.835944  -0.431288   0.161993  -0.003423   0.028430
    24  H    0.056449   0.164917   0.011857  -0.000333  -0.105996   0.003535
    25  H    0.080643  -0.355655   0.013373   0.023097   0.014989  -0.182360
    26  H    0.134652   0.004337   0.503458   0.109013  -0.000485   0.002040
    27  H   -0.073657   0.013029   0.156739  -0.066115   0.001482   0.015684
    28  H    0.097331   0.020710   0.021787  -0.108924   0.000697  -0.019926
              13         14         15         16         17         18
     1  C    0.277217   0.068000  -0.140029   0.200510  -0.034797   0.018268
     2  C   -0.142214   0.429337   0.093525   0.542726  -0.083396  -0.036247
     3  C   -0.309439   0.066301   0.060554   0.028806  -0.144695   0.084820
     4  C   -0.433990  -0.388277   0.243347  -1.066142  -0.341770  -0.052446
     5  C   -1.497472   0.196061   0.223606   0.473613   0.867646  -0.161789
     6  C   -0.861421  -3.986745  -0.095362  -1.445588  -0.456599   0.210959
     7  C    0.739082   1.380006  -0.853001   0.524622   0.242497  -0.022924
     8  H   -0.027321  -0.001255  -0.001983   0.032228   0.009147   0.005672
     9  C   -0.037879  -0.009856   0.010678  -0.115848  -0.016802   0.016452
    10  H    0.001830   0.041089   0.049353  -0.020269  -0.064982   0.008768
    11  H    0.094107  -0.004152  -0.119364   0.169324  -0.025470   0.021407
    12  C   -0.838673  -0.363087   0.172253  -0.261355  -0.430294   0.092154
    13  C    7.409309   0.247222  -0.062395   0.150304   0.381872  -0.161862
    14  H    0.247222   4.327305  -0.128030   0.203349  -0.012577   0.001353
    15  H   -0.062395  -0.128030   3.447454  -1.281182   0.026060   0.000402
    16  H    0.150304   0.203349  -1.281182   3.711145  -0.007451  -0.006109
    17  H    0.381872  -0.012577   0.026060  -0.007451   2.770832  -0.739504
    18  H   -0.161862   0.001353   0.000402  -0.006109  -0.739504   2.208791
    19  H   -0.306472   0.016688  -0.004862  -0.001898  -0.702899  -0.250284
    20  H   -0.545079  -0.073006  -0.067234  -0.013824  -0.066842   0.030502
    21  H    0.304304  -0.007827   0.016020   0.016193   0.051742   0.023245
    22  H    0.172264   0.031053   0.005639   0.007795   0.056664  -0.074196
    23  H    0.026271  -0.012150   0.043637  -0.076523   0.008814  -0.002028
    24  H    0.012030  -0.007801   0.026451  -0.061040  -0.009784   0.016251
    25  H    0.049989  -0.001426   0.004954   0.015361   0.065112  -0.025426
    26  H   -0.010224  -0.038517   0.037615  -0.059259  -0.002055   0.001912
    27  H    0.001963   0.041427  -0.010320  -0.000938   0.008476   0.000639
    28  H    0.005091  -0.012380   0.004670   0.009062  -0.007380   0.000283
              19         20         21         22         23         24
     1  C   -0.015816   0.008277  -0.005793   0.012566  -0.219238  -0.043332
     2  C    0.234495   0.107645   0.002285  -0.063418   0.376723   0.071838
     3  C    0.002307   0.000355  -0.030740   0.026832   0.106656  -0.206167
     4  C    0.033028   0.076666  -0.013245  -0.143625   0.020139  -0.047755
     5  C    0.307153   1.148188  -0.154179  -0.133504  -0.042192   0.358059
     6  C   -0.306374   0.041649  -0.269056   0.113132  -0.301124  -0.150661
     7  C    0.000669  -0.402551   0.163483   0.058823   0.075027   0.056449
     8  H    0.007400  -0.003346   0.000962   0.001397  -0.835944   0.164917
     9  C    0.022621  -0.027171   0.008910   0.008304  -0.431288   0.011857
    10  H   -0.001405   0.009401   0.014916  -0.016361   0.161993  -0.000333
    11  H    0.001311  -0.070721   0.022546  -0.004789  -0.003423  -0.105996
    12  C    0.104806  -0.082165   0.062186   0.083331   0.028430   0.003535
    13  C   -0.306472  -0.545079   0.304304   0.172264   0.026271   0.012030
    14  H    0.016688  -0.073006  -0.007827   0.031053  -0.012150  -0.007801
    15  H   -0.004862  -0.067234   0.016020   0.005639   0.043637   0.026451
    16  H   -0.001898  -0.013824   0.016193   0.007795  -0.076523  -0.061040
    17  H   -0.702899  -0.066842   0.051742   0.056664   0.008814  -0.009784
    18  H   -0.250284   0.030502   0.023245  -0.074196  -0.002028   0.016251
    19  H    2.089229   0.023256  -0.081825   0.016854  -0.005437  -0.001937
    20  H    0.023256   2.082962  -0.431474  -0.445257   0.002988  -0.000359
    21  H   -0.081825  -0.431474   1.995580  -0.498745  -0.000463   0.003816
    22  H    0.016854  -0.445257  -0.498745   1.963860  -0.000994  -0.000766
    23  H   -0.005437   0.002988  -0.000463  -0.000994   2.822413  -0.371767
    24  H   -0.001937  -0.000359   0.003816  -0.000766  -0.371767   2.335722
    25  H    0.006095   0.003019  -0.008706   0.016676   0.210592  -0.699508
    26  H    0.001765   0.001016   0.000145  -0.000592  -0.044681   0.015446
    27  H   -0.001757  -0.000543  -0.000323   0.000437  -0.074617   0.000363
    28  H    0.003100  -0.005611   0.001318   0.002084   0.005846  -0.003204
              25         26         27         28
     1  C    0.492462  -0.223651   0.139924  -0.074496
     2  C   -0.046053   0.030056  -0.088617   0.237308
     3  C   -0.445926   0.103692  -0.023014  -0.026804
     4  C    0.047742  -0.121018   0.061000  -0.015822
     5  C   -0.045421   0.137721  -0.143322   0.073964
     6  C   -0.204909  -0.448697   0.239052  -0.026856
     7  C    0.080643   0.134652  -0.073657   0.097331
     8  H   -0.355655   0.004337   0.013029   0.020710
     9  C    0.013373   0.503458   0.156739   0.021787
    10  H    0.023097   0.109013  -0.066115  -0.108924
    11  H    0.014989  -0.000485   0.001482   0.000697
    12  C   -0.182360   0.002040   0.015684  -0.019926
    13  C    0.049989  -0.010224   0.001963   0.005091
    14  H   -0.001426  -0.038517   0.041427  -0.012380
    15  H    0.004954   0.037615  -0.010320   0.004670
    16  H    0.015361  -0.059259  -0.000938   0.009062
    17  H    0.065112  -0.002055   0.008476  -0.007380
    18  H   -0.025426   0.001912   0.000639   0.000283
    19  H    0.006095   0.001765  -0.001757   0.003100
    20  H    0.003019   0.001016  -0.000543  -0.005611
    21  H   -0.008706   0.000145  -0.000323   0.001318
    22  H    0.016676  -0.000592   0.000437   0.002084
    23  H    0.210592  -0.044681  -0.074617   0.005846
    24  H   -0.699508   0.015446   0.000363  -0.003204
    25  H    2.291865  -0.004668  -0.002551   0.004281
    26  H   -0.004668   1.799139  -0.374269  -0.427577
    27  H   -0.002551  -0.374269   1.755739  -0.450302
    28  H    0.004281  -0.427577  -0.450302   1.930948
 Mulliken charges:
               1
     1  C    1.053036
     2  C   -0.770639
     3  C    0.734842
     4  C    1.676025
     5  C   -3.013216
     6  C    2.640991
     7  C    1.028361
     8  H   -0.457866
     9  C    1.003355
    10  H   -0.755736
    11  H   -0.842209
    12  C    1.778310
    13  C    1.361587
    14  H   -1.002106
    15  H   -0.702456
    16  H   -0.667610
    17  H   -0.341563
    18  H   -0.209065
    19  H   -0.189810
    20  H   -0.300740
    21  H   -0.185277
    22  H   -0.195466
    23  H   -0.467657
    24  H   -0.366326
    25  H   -0.317644
    26  H   -0.126315
    27  H   -0.125611
    28  H   -0.239197
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.127512
     2  C   -1.526375
     3  C    0.050873
     4  C    0.833816
     5  C   -3.013216
     6  C    1.638886
     7  C   -0.341705
     9  C    0.512232
    12  C    1.037872
    13  C    0.680104
 Electronic spatial extent (au):  <R**2>=           1434.2067
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0032    Y=              0.0841    Z=              0.1175  Tot=              0.1445
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -66.2383   YY=            -65.8782   ZZ=            -65.7199
   XY=             -0.2997   XZ=             -0.2252   YZ=             -0.1678
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2928   YY=              0.0673   ZZ=              0.2256
   XY=             -0.2997   XZ=             -0.2252   YZ=             -0.1678
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              1.0221  YYY=             -0.9713  ZZZ=             -0.8169  XYY=              0.9718
  XXY=              3.1234  XXZ=              0.1635  XZZ=             -1.2337  YZZ=              0.0853
  YYZ=              1.0817  XYZ=              0.3454
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1093.1166 YYYY=           -535.5484 ZZZZ=           -446.7786 XXXY=              3.4042
 XXXZ=             -1.6973 YYYX=             -0.4872 YYYZ=             -5.5579 ZZZX=             -4.7396
 ZZZY=              1.1016 XXYY=           -272.8842 XXZZ=           -250.4346 YYZZ=           -159.2639
 XXYZ=             -0.4129 YYXZ=              0.3812 ZZXY=             -4.8503
 N-N= 5.951708560182D+02 E-N=-2.095987504827D+03  KE= 3.885641854235D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 21:49:40 2021, MaxMem=  5637144576 cpu:               8.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.35382624D-04 3.45650446D-02 3.94025167D-02
 Polarizability= 1.22105360D+02-1.24919004D-01 1.09054775D+02
                 6.28409595D-01-1.15229645D-01 1.05096169D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3256   -0.3273       -0.0302   -0.0306
 2      0.3256    0.3273        0.0080    0.0069       -7.0978   -7.1004
 3      0.0302    0.0306        9.2661    9.2650       -0.0069   -0.0069
 4     -0.0080   -0.0069        0.0000    0.0000        0.0283    0.0306
 5     -2.1682   -2.1646       -0.0283   -0.0306       -0.3253   -0.3273
 6      0.0069    0.0069        0.3253    0.3273       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9820    0.9820       -0.0917   -0.0917
 2     -0.0208   -0.0208       -0.0000    0.0000       -0.0917   -0.0917
 3     -0.0208   -0.0208        0.9820    0.9820        0.0000    0.0000
 4      0.9820    0.9820        0.0208    0.0208      -21.3011  -21.3011
 5      0.0917    0.0917       27.7949   27.7949       -0.0208   -0.0208
 6     -6.4938   -6.4938       -0.0917   -0.0917       -0.9820   -0.9820
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0175    0.0000        1.2926    1.3093        0.1004    0.1222
 2     -1.3001   -1.3093        0.0402   -0.0278       28.4114   28.4015
 3     -0.1250   -0.1222      -37.0057  -37.0599        0.0173    0.0278
 4     -0.0070    0.0278       -0.0028    0.0000       -0.1346   -0.1222
 5      8.6209    8.6584        0.1241    0.1222        1.3079    1.3093
 6     -0.0393   -0.0278       -1.2864   -1.3093       -0.0183    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0197    0.0000        7.1470    7.1523       -4.2726   -4.2988
 2     -7.1234   -7.1523        9.6726    9.6360        7.1753    7.2150
 3      4.2202    4.2988       -8.8982   -8.9341       -9.8068   -9.6360
 4     -9.6355   -9.6360       -0.0321    0.0000        4.3056    4.2988
 5      1.8067    1.7191       -4.3503   -4.2988        7.1385    7.1523
 6      9.6299    9.6360       -7.1224   -7.1523       -0.0209    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -19.2859  -19.2546       26.3423   26.2859       14.5426   14.4910
 2    -28.3371  -28.3062       33.4843   33.4497       14.5821   14.4910
 3    -28.3071  -28.3062       26.2949   26.2859       15.5715   15.4795
 4     -7.1470   -7.1639        9.1314    9.0517       -6.4125   -6.3164
 5      0.9031    0.9885       -0.0048   -0.0444       -9.1448   -9.0517
 6      6.4655    6.3608       -1.0447   -0.9885        7.0947    7.1639
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.2126  -11.2057   -0.0006   -0.0002    0.0001    3.8994
 Low frequencies ---  126.9817  176.3350  201.2294
 Diagonal vibrational polarizability:
        1.2012686       1.1302383       1.1523327
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    126.9788               176.3320               201.2291
 Red. masses --      2.1940                 1.7878                 1.3296
 Frc consts  --      0.0208                 0.0328                 0.0317
 IR Inten    --      0.0066                 0.0218                 0.0116
 RamAct Fr= 1--      0.3205                 0.5846                 0.1439
  Dep-P Fr= 1--      0.6288                 0.7421                 0.7480
  Dep-U Fr= 1--      0.7721                 0.8520                 0.8558
 Alpha2 Fr= 1--      0.0007                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0412                 0.0830                 0.0205
 AlphaG Fr= 1--     -0.0016                 0.0007                 0.0000
 Gamma2 Fr= 1--     -0.1464                 0.0664                -0.0667
 Delta2 Fr= 1--      0.0532                -0.0495                -0.0250
 Raman1 Fr= 1--       1.282                  2.338                  0.576
 ROA1   Fr= 1--     -12.351                  4.790                 -7.198
 CID1   Fr= 1--      -9.636                  2.048                -12.503
 Raman2 Fr= 1--       0.495                  0.996                  0.246
 ROA2   Fr= 1--      -3.939                  1.989                 -1.400
 CID2   Fr= 1--      -7.961                  1.997                 -5.683
 Raman3 Fr= 1--       0.990                  1.992                  0.493
 ROA3   Fr= 1--     -12.351                  4.790                 -7.198
 CID3   Fr= 1--     -12.480                  2.404                -14.610
 RC180  Fr= 1--       0.544                  0.704                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.20    -0.05   0.00  -0.07     0.02  -0.02   0.02
     2   6     0.00  -0.05   0.02    -0.05   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.01  -0.02  -0.03    -0.00  -0.01   0.07     0.01  -0.00   0.00
     4   6    -0.02  -0.04  -0.04    -0.01  -0.01   0.04     0.02   0.01  -0.01
     5   6    -0.00   0.01  -0.00     0.02   0.00   0.02    -0.01   0.00  -0.02
     6   6     0.01  -0.03   0.04    -0.01   0.01   0.08    -0.00   0.01  -0.06
     7   6    -0.05  -0.06   0.02    -0.02  -0.02   0.06     0.02   0.04  -0.04
     8   1     0.31  -0.04   0.35    -0.18   0.03  -0.15     0.05  -0.03   0.05
     9   6    -0.01   0.05  -0.18    -0.01  -0.01  -0.10    -0.00  -0.02   0.06
    10   1    -0.07  -0.20   0.02    -0.13   0.06   0.02     0.07  -0.04  -0.03
    11   1    -0.04  -0.06  -0.08    -0.03  -0.00   0.02     0.03   0.03   0.01
    12   6    -0.01   0.10  -0.03     0.15   0.06  -0.01    -0.04   0.06  -0.03
    13   6     0.01   0.01   0.02    -0.03  -0.04  -0.05    -0.03  -0.06   0.06
    14   1     0.03  -0.03   0.06    -0.02   0.01   0.10     0.01   0.01  -0.09
    15   1    -0.08  -0.07  -0.00    -0.02  -0.03   0.06     0.02   0.04  -0.04
    16   1    -0.08  -0.07   0.06    -0.02  -0.04   0.06     0.03   0.07  -0.05
    17   1    -0.06   0.03  -0.04     0.05  -0.21   0.13    -0.15  -0.14   0.01
    18   1    -0.07   0.20  -0.08    -0.03   0.35  -0.19    -0.19   0.29  -0.09
    19   1     0.10   0.15   0.02     0.56   0.12  -0.03     0.22   0.12  -0.01
    20   1     0.00  -0.03   0.03    -0.05   0.04  -0.07     0.17   0.27  -0.05
    21   1     0.03   0.04   0.06    -0.08  -0.10  -0.12    -0.34  -0.28  -0.18
    22   1    -0.00   0.03  -0.01     0.01  -0.11  -0.00     0.06  -0.26   0.47
    23   1    -0.12   0.13   0.38     0.06  -0.04  -0.18    -0.01   0.01   0.05
    24   1    -0.09  -0.10  -0.09     0.07   0.08   0.14    -0.01  -0.01   0.00
    25   1     0.09   0.09  -0.14    -0.02  -0.12   0.15     0.01   0.01  -0.01
    26   1     0.07   0.23  -0.19     0.15  -0.09  -0.13    -0.13   0.04   0.09
    27   1    -0.03   0.01  -0.18    -0.08   0.03  -0.25     0.05  -0.08   0.19
    28   1    -0.08   0.00  -0.34    -0.04   0.01  -0.00     0.06  -0.04  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    214.0535               230.2849               260.6062
 Red. masses --      1.9155                 1.3070                 1.1319
 Frc consts  --      0.0517                 0.0408                 0.0453
 IR Inten    --      0.0129                 0.0275                 0.0123
 RamAct Fr= 1--      0.3847                 0.3663                 0.0817
  Dep-P Fr= 1--      0.7390                 0.6527                 0.3343
  Dep-U Fr= 1--      0.8499                 0.7899                 0.5011
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0008
 Beta2  Fr= 1--      0.0545                 0.0482                 0.0068
 AlphaG Fr= 1--      0.0008                 0.0057                 0.0003
 Gamma2 Fr= 1--     -0.0381                -0.0827                -0.0218
 Delta2 Fr= 1--      0.0057                -0.1113                 0.0097
 Raman1 Fr= 1--       1.539                  1.465                  0.327
 ROA1   Fr= 1--      -3.477                -11.505                 -1.778
 CID1   Fr= 1--      -2.260                 -7.852                 -5.440
 Raman2 Fr= 1--       0.654                  0.579                  0.082
 ROA2   Fr= 1--      -0.960                 -1.095                 -0.600
 CID2   Fr= 1--      -1.468                 -1.892                 -7.332
 Raman3 Fr= 1--       1.308                  1.157                  0.164
 ROA3   Fr= 1--      -3.477                -11.505                 -1.778
 CID3   Fr= 1--      -2.658                 -9.941                -10.857
 RC180  Fr= 1--       0.700                  0.580                  0.002
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.02   0.02   0.01     0.03  -0.01   0.03
     2   6    -0.00   0.01   0.00     0.01   0.03   0.03     0.02  -0.02   0.00
     3   6     0.02  -0.02  -0.01    -0.03   0.02  -0.05     0.02   0.00   0.02
     4   6    -0.02  -0.05  -0.01    -0.01   0.01  -0.01     0.00   0.01  -0.01
     5   6    -0.00  -0.03   0.00     0.01   0.03   0.01    -0.01  -0.01  -0.02
     6   6     0.00  -0.06   0.02     0.01   0.03   0.06    -0.00  -0.00  -0.03
     7   6    -0.01  -0.08   0.01    -0.03  -0.02   0.03    -0.01   0.03  -0.02
     8   1    -0.00   0.02  -0.04     0.03   0.04   0.03     0.05  -0.03   0.06
     9   6    -0.06   0.09   0.02     0.07  -0.03  -0.05     0.01  -0.01   0.02
    10   1    -0.03   0.02   0.01    -0.03   0.04   0.04     0.04  -0.03  -0.01
    11   1    -0.01  -0.08  -0.03    -0.03   0.01  -0.04     0.01   0.00  -0.00
    12   6    -0.04  -0.09   0.03     0.02  -0.04   0.02    -0.05   0.02  -0.02
    13   6     0.10   0.17  -0.04    -0.03  -0.02  -0.03    -0.00  -0.01   0.02
    14   1    -0.02  -0.06   0.05     0.02   0.03   0.09    -0.00  -0.00  -0.07
    15   1    -0.00  -0.09   0.02    -0.05  -0.03   0.03    -0.02   0.04  -0.04
    16   1    -0.02  -0.11   0.01    -0.04  -0.03   0.06    -0.02   0.05  -0.01
    17   1    -0.14  -0.28   0.09     0.14   0.19  -0.03    -0.10  -0.04  -0.03
    18   1    -0.16   0.07   0.06     0.20  -0.30   0.11    -0.10   0.09  -0.02
    19   1     0.14  -0.11  -0.05    -0.29  -0.10   0.01     0.01   0.04  -0.01
    20   1     0.28   0.51  -0.15     0.09   0.32  -0.13    -0.01  -0.08   0.04
    21   1     0.11   0.00  -0.30    -0.27  -0.24  -0.28     0.02   0.03   0.07
    22   1     0.02   0.23   0.27     0.05  -0.20   0.31    -0.01   0.01  -0.03
    23   1     0.04  -0.00  -0.04    -0.05   0.01   0.05     0.01   0.01   0.05
    24   1     0.05   0.01   0.01    -0.05  -0.03  -0.10     0.01   0.01   0.04
    25   1     0.05  -0.06  -0.00    -0.04   0.09  -0.09     0.04  -0.01   0.02
    26   1    -0.04   0.05   0.02     0.23  -0.15  -0.09     0.31  -0.47  -0.06
    27   1    -0.03   0.22  -0.02    -0.02  -0.01  -0.22    -0.08   0.33  -0.40
    28   1    -0.18   0.10   0.09     0.06  -0.00   0.07    -0.20   0.10   0.52
                      7                      8                      9
                      A                      A                      A
 Frequencies --    302.5084               311.9920               384.4003
 Red. masses --      2.0979                 1.7307                 2.4166
 Frc consts  --      0.1131                 0.0993                 0.2104
 IR Inten    --      0.0053                 0.0033                 0.0539
 RamAct Fr= 1--      1.0341                 0.3427                 1.2532
  Dep-P Fr= 1--      0.2935                 0.1622                 0.5119
  Dep-U Fr= 1--      0.4538                 0.2792                 0.6772
 Alpha2 Fr= 1--      0.0108                 0.0051                 0.0058
 Beta2  Fr= 1--      0.0782                 0.0159                 0.1415
 AlphaG Fr= 1--     -0.0190                 0.0164                 0.0009
 Gamma2 Fr= 1--     -0.0748                -0.0869                 0.1172
 Delta2 Fr= 1--      0.0890                -0.1123                 0.0344
 Raman1 Fr= 1--       4.136                  1.371                  5.013
 ROA1   Fr= 1--      -4.332                -11.936                 12.355
 CID1   Fr= 1--      -1.047                 -8.707                  2.465
 Raman2 Fr= 1--       0.939                  0.191                  1.697
 ROA2   Fr= 1--      -2.507                 -1.187                  2.538
 CID2   Fr= 1--      -2.671                 -6.201                  1.495
 Raman3 Fr= 1--       1.877                  0.383                  3.395
 ROA3   Fr= 1--      -4.332                -11.936                 12.355
 CID3   Fr= 1--      -2.308                -31.187                  3.640
 RC180  Fr= 1--      -0.092                 -0.442                  0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02     0.03  -0.03  -0.03    -0.07   0.02   0.02
     2   6     0.02   0.08   0.03     0.01  -0.02   0.01     0.03   0.04   0.01
     3   6     0.09   0.04   0.01     0.07  -0.03   0.15    -0.10   0.02   0.01
     4   6    -0.01  -0.02  -0.04    -0.03  -0.01  -0.05    -0.10   0.04  -0.09
     5   6    -0.03  -0.01  -0.01     0.01   0.01  -0.05     0.03   0.04  -0.08
     6   6    -0.02   0.02   0.04     0.01  -0.02   0.00     0.02   0.03  -0.02
     7   6    -0.10  -0.02   0.02    -0.07  -0.03  -0.00    -0.06  -0.02  -0.04
     8   1     0.03   0.13  -0.04    -0.15  -0.02  -0.13    -0.08  -0.00   0.03
     9   6     0.16  -0.10  -0.02    -0.00   0.02  -0.02     0.04   0.06  -0.01
    10   1    -0.01   0.11   0.04    -0.00  -0.01   0.02     0.04   0.04   0.01
    11   1     0.00  -0.09  -0.10    -0.07  -0.02  -0.11    -0.18   0.09  -0.17
    12   6    -0.13  -0.06   0.01    -0.05   0.10  -0.06     0.08  -0.12  -0.05
    13   6    -0.02   0.01  -0.01     0.03   0.01   0.03     0.10  -0.05   0.19
    14   1    -0.07   0.02   0.08     0.03  -0.02   0.02     0.01   0.03   0.01
    15   1    -0.16  -0.04  -0.02    -0.08  -0.02  -0.02     0.00  -0.01  -0.00
    16   1    -0.13  -0.01   0.08    -0.10  -0.07   0.02    -0.08  -0.12  -0.06
    17   1    -0.27  -0.32   0.05     0.07   0.37  -0.20     0.08  -0.26   0.13
    18   1    -0.30   0.16   0.09     0.12  -0.15  -0.02     0.06  -0.10   0.00
    19   1     0.09  -0.08  -0.07    -0.38   0.11   0.04     0.20  -0.23  -0.23
    20   1    -0.07  -0.07   0.02     0.12   0.07   0.01     0.30  -0.24   0.23
    21   1     0.05   0.06   0.05    -0.05  -0.03  -0.00    -0.06   0.07   0.40
    22   1    -0.05   0.06  -0.10     0.03  -0.01   0.15     0.10  -0.06   0.27
    23   1     0.07   0.10  -0.04     0.18  -0.06  -0.17    -0.08  -0.02   0.03
    24   1     0.13   0.12   0.07     0.13   0.18   0.36    -0.11   0.09   0.09
    25   1     0.15  -0.06   0.04     0.14  -0.28   0.27    -0.04  -0.06   0.04
    26   1     0.15  -0.07  -0.02    -0.01   0.09  -0.02     0.06   0.08  -0.01
    27   1     0.06  -0.36   0.02     0.01   0.01   0.01     0.03   0.08  -0.03
    28   1     0.42  -0.10  -0.11    -0.03  -0.00  -0.09     0.00   0.05  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.0107               430.4381               451.9905
 Red. masses --      2.2832                 2.0798                 2.9778
 Frc consts  --      0.2046                 0.2270                 0.3584
 IR Inten    --      0.0136                 0.2588                 0.0651
 RamAct Fr= 1--      1.9002                 0.1185                 1.1675
  Dep-P Fr= 1--      0.1636                 0.5939                 0.7384
  Dep-U Fr= 1--      0.2812                 0.7452                 0.8495
 Alpha2 Fr= 1--      0.0284                 0.0003                 0.0002
 Beta2  Fr= 1--      0.0890                 0.0147                 0.1653
 AlphaG Fr= 1--      0.0049                 0.0002                -0.0013
 Gamma2 Fr= 1--      0.1957                 0.0391                -0.0953
 Delta2 Fr= 1--      0.0904                 0.0040                -0.0549
 Raman1 Fr= 1--       7.601                  0.474                  4.670
 ROA1   Fr= 1--      21.680                  3.880                -10.906
 CID1   Fr= 1--       2.852                  8.183                 -2.335
 Raman2 Fr= 1--       1.069                  0.177                  1.984
 ROA2   Fr= 1--       3.973                  0.905                 -1.848
 CID2   Fr= 1--       3.718                  5.125                 -0.932
 Raman3 Fr= 1--       2.137                  0.353                  3.967
 ROA3   Fr= 1--      21.680                  3.880                -10.906
 CID3   Fr= 1--      10.145                 10.981                 -2.749
 RC180  Fr= 1--      -0.438                  0.490                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09  -0.04    -0.02   0.06   0.08    -0.14   0.07   0.04
     2   6     0.13  -0.04   0.05    -0.03   0.04  -0.05    -0.01   0.11   0.05
     3   6    -0.07   0.02   0.00     0.00  -0.00   0.07    -0.11  -0.02   0.05
     4   6    -0.04   0.06  -0.01    -0.04   0.02  -0.06    -0.01  -0.03   0.10
     5   6     0.03   0.07  -0.00    -0.03   0.07  -0.01     0.08  -0.14  -0.05
     6   6     0.11  -0.01   0.04     0.01   0.02   0.01    -0.02  -0.00   0.01
     7   6     0.02  -0.03   0.03     0.18  -0.14  -0.06     0.07  -0.00   0.02
     8   1    -0.15  -0.09  -0.13     0.08   0.01   0.17    -0.13   0.07   0.05
     9   6     0.06   0.14  -0.01    -0.01  -0.03   0.02     0.07   0.05  -0.00
    10   1     0.10  -0.04   0.05    -0.01   0.01  -0.06    -0.01   0.12   0.05
    11   1    -0.08   0.08  -0.05    -0.06   0.07  -0.03    -0.04   0.07   0.15
    12   6    -0.11  -0.02   0.03    -0.01  -0.00   0.00    -0.10   0.03  -0.12
    13   6    -0.08  -0.06  -0.08    -0.08   0.01  -0.04     0.17  -0.10  -0.08
    14   1     0.19  -0.01   0.09     0.03   0.02   0.15    -0.20  -0.01  -0.00
    15   1     0.05   0.02   0.02     0.42  -0.17   0.18     0.19  -0.01   0.13
    16   1    -0.01  -0.13   0.04     0.26  -0.34  -0.33     0.14  -0.02  -0.12
    17   1    -0.24  -0.19   0.00     0.00  -0.03   0.06    -0.21   0.08  -0.40
    18   1    -0.22   0.11   0.19     0.01  -0.04   0.05    -0.17   0.13  -0.09
    19   1    -0.04  -0.06  -0.04    -0.02  -0.06  -0.08    -0.18   0.18   0.12
    20   1    -0.26  -0.11  -0.05    -0.11  -0.00  -0.03     0.22  -0.07  -0.09
    21   1    -0.17  -0.07  -0.06    -0.12   0.01  -0.04     0.23  -0.10  -0.10
    22   1     0.04  -0.21  -0.21    -0.04  -0.04  -0.07     0.12  -0.03  -0.04
    23   1     0.10  -0.26  -0.13    -0.08   0.18   0.13    -0.15   0.03   0.05
    24   1    -0.13   0.02   0.02     0.03   0.16   0.24    -0.03  -0.10  -0.06
    25   1    -0.09   0.02   0.01     0.12  -0.19   0.13    -0.17   0.08   0.02
    26   1     0.10   0.29  -0.00    -0.05  -0.13   0.02     0.14   0.08  -0.02
    27   1     0.13   0.27   0.00    -0.02  -0.04   0.02     0.01  -0.02  -0.05
    28   1    -0.14   0.10  -0.10     0.06   0.00   0.10     0.12   0.05  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.0596               526.2842               578.5710
 Red. masses --      3.0696                 2.5742                 3.0690
 Frc consts  --      0.4203                 0.4201                 0.6053
 IR Inten    --      0.3693                 0.2430                 0.7191
 RamAct Fr= 1--      3.5399                 1.3128                 1.6547
  Dep-P Fr= 1--      0.1466                 0.1425                 0.6788
  Dep-U Fr= 1--      0.2558                 0.2495                 0.8087
 Alpha2 Fr= 1--      0.0552                 0.0207                 0.0021
 Beta2  Fr= 1--      0.1509                 0.0546                 0.2230
 AlphaG Fr= 1--      0.0256                 0.0034                 0.0007
 Gamma2 Fr= 1--      0.2152                -0.2026                 0.1535
 Delta2 Fr= 1--      0.1298                -0.1302                 0.1193
 Raman1 Fr= 1--      14.160                  5.251                  6.619
 ROA1   Fr= 1--      24.816                -23.614                 18.550
 CID1   Fr= 1--       1.753                 -4.497                  2.803
 Raman2 Fr= 1--       1.811                  0.655                  2.676
 ROA2   Fr= 1--       4.127                 -3.820                  2.729
 CID2   Fr= 1--       2.279                 -5.833                  1.020
 Raman3 Fr= 1--       3.622                  1.310                  5.353
 ROA3   Fr= 1--      24.816                -23.614                 18.550
 CID3   Fr= 1--       6.852                -18.027                  3.466
 RC180  Fr= 1--      -0.488                 -0.501                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01     0.02  -0.09   0.03     0.12   0.02  -0.01
     2   6     0.13   0.04  -0.02    -0.04  -0.01   0.23    -0.01  -0.08   0.03
     3   6    -0.04   0.03   0.02     0.03  -0.11  -0.03     0.04   0.25   0.00
     4   6    -0.10  -0.06   0.10     0.09  -0.00  -0.05    -0.05   0.11   0.08
     5   6    -0.17  -0.12   0.05    -0.06   0.02  -0.05    -0.05  -0.03  -0.06
     6   6    -0.05  -0.10  -0.11    -0.12   0.10   0.03    -0.00  -0.10   0.05
     7   6     0.00  -0.04  -0.06     0.08   0.06  -0.05     0.03  -0.02   0.13
     8   1    -0.06  -0.06  -0.01    -0.13   0.14  -0.18    -0.09  -0.01  -0.11
     9   6     0.18   0.10  -0.00     0.02   0.01  -0.01    -0.08  -0.07  -0.01
    10   1     0.24   0.04  -0.05    -0.01  -0.06   0.21    -0.09  -0.09   0.04
    11   1     0.01  -0.11   0.20     0.12   0.04   0.04     0.01  -0.03   0.02
    12   6     0.06   0.02   0.00    -0.01  -0.03  -0.07    -0.01  -0.05  -0.17
    13   6    -0.12   0.07   0.05    -0.05   0.06   0.02    -0.01  -0.00   0.01
    14   1    -0.16  -0.11  -0.11    -0.11   0.10  -0.05     0.05  -0.10   0.03
    15   1     0.11   0.07  -0.04     0.13  -0.17   0.18     0.27   0.08   0.27
    16   1     0.03  -0.07  -0.13     0.24   0.15  -0.29     0.08  -0.23  -0.07
    17   1     0.23   0.20   0.12     0.03  -0.05   0.02    -0.00  -0.02  -0.18
    18   1     0.15  -0.05  -0.36     0.01  -0.05  -0.09    -0.01  -0.04  -0.24
    19   1     0.15   0.13   0.14     0.03  -0.08  -0.15     0.01  -0.02  -0.14
    20   1    -0.04   0.13   0.03     0.06   0.04   0.02     0.15  -0.08   0.03
    21   1    -0.01   0.05   0.00    -0.01   0.08   0.05    -0.07   0.05   0.11
    22   1    -0.21   0.18   0.12    -0.12   0.14   0.08    -0.04   0.03   0.11
    23   1     0.03  -0.06  -0.03     0.16  -0.30  -0.11     0.25  -0.07  -0.14
    24   1    -0.00   0.01  -0.02    -0.06  -0.13  -0.02    -0.08   0.07  -0.15
    25   1    -0.03   0.05   0.00     0.03  -0.06  -0.05    -0.01   0.45  -0.10
    26   1     0.24   0.13  -0.01     0.29   0.18  -0.05    -0.08  -0.07  -0.01
    27   1     0.15   0.08  -0.04    -0.12  -0.08  -0.17    -0.08  -0.09   0.00
    28   1     0.18   0.09  -0.04    -0.02  -0.03  -0.17    -0.07  -0.07  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    667.8785               786.9762               790.2816
 Red. masses --      2.6108                 2.1724                 1.8277
 Frc consts  --      0.6861                 0.7927                 0.6725
 IR Inten    --      0.1234                 0.8280                 0.4148
 RamAct Fr= 1--     13.9744                 5.2758                 5.8678
  Dep-P Fr= 1--      0.0091                 0.0969                 0.1176
  Dep-U Fr= 1--      0.0179                 0.1767                 0.2105
 Alpha2 Fr= 1--      0.3040                 0.0931                 0.0984
 Beta2  Fr= 1--      0.0418                 0.1554                 0.2058
 AlphaG Fr= 1--     -0.0037                 0.0024                -0.1670
 Gamma2 Fr= 1--      0.1548                -0.0053                -1.9352
 Delta2 Fr= 1--      0.0704                 0.0888                -1.4149
 Raman1 Fr= 1--      55.897                 21.103                 23.471
 ROA1   Fr= 1--      17.113                  2.336               -231.054
 CID1   Fr= 1--       0.306                  0.111                 -9.844
 Raman2 Fr= 1--       0.502                  1.865                  2.470
 ROA2   Fr= 1--       3.152                 -0.837                -35.126
 CID2   Fr= 1--       6.282                 -0.449                -14.222
 Raman3 Fr= 1--       1.003                  3.729                  4.940
 ROA3   Fr= 1--      17.113                  2.336               -231.054
 CID3   Fr= 1--      17.056                  0.626                -46.776
 RC180  Fr= 1--      -0.964                 -0.647                 -0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01   0.04     0.06  -0.12  -0.07    -0.09   0.06  -0.05
     2   6    -0.01  -0.02   0.08     0.01  -0.01  -0.09     0.01  -0.07   0.11
     3   6    -0.00   0.12  -0.01    -0.02  -0.02  -0.04    -0.02   0.09  -0.08
     4   6    -0.10   0.03  -0.08    -0.01   0.08  -0.07     0.03   0.04  -0.08
     5   6     0.03  -0.04   0.05    -0.03  -0.04   0.01    -0.03  -0.06   0.02
     6   6    -0.09  -0.00  -0.09    -0.12   0.06   0.03     0.05  -0.08   0.02
     7   6    -0.03  -0.01  -0.09    -0.02   0.05   0.17     0.06   0.04  -0.01
     8   1    -0.19   0.09  -0.14     0.37  -0.23   0.15     0.20   0.08   0.09
     9   6    -0.04  -0.03  -0.00     0.07   0.04  -0.01    -0.02  -0.03   0.03
    10   1     0.07  -0.11   0.05    -0.04   0.04  -0.07     0.04   0.05   0.12
    11   1    -0.13  -0.01  -0.18    -0.05   0.01  -0.21     0.11  -0.05  -0.05
    12   6     0.03   0.05   0.21    -0.00  -0.00   0.02    -0.01  -0.02   0.01
    13   6     0.11  -0.07  -0.05     0.03  -0.03  -0.02    -0.01  -0.01   0.01
    14   1    -0.17  -0.01  -0.21    -0.20   0.06  -0.14     0.11  -0.08  -0.04
    15   1     0.16  -0.02   0.09     0.13  -0.13   0.45    -0.04   0.07  -0.12
    16   1     0.06  -0.13  -0.32     0.11  -0.05  -0.13     0.02   0.11   0.11
    17   1     0.01   0.07   0.15     0.01   0.03   0.01     0.03   0.05  -0.00
    18   1     0.01   0.08   0.19    -0.00   0.01  -0.05    -0.00  -0.00  -0.14
    19   1     0.03   0.10   0.30     0.01   0.04   0.08     0.03   0.06   0.11
    20   1     0.03  -0.02  -0.06     0.10   0.00  -0.03    -0.02   0.03  -0.01
    21   1     0.18  -0.12  -0.12     0.14  -0.03  -0.04     0.07  -0.03  -0.04
    22   1     0.13  -0.09  -0.11    -0.05   0.07   0.01    -0.05   0.05   0.00
    23   1     0.23  -0.17  -0.14    -0.18   0.06   0.17    -0.32   0.06   0.16
    24   1    -0.13   0.10   0.01    -0.05   0.15   0.16     0.16   0.44   0.24
    25   1     0.11   0.13  -0.08    -0.09  -0.21   0.11    -0.01  -0.34   0.18
    26   1     0.09   0.01  -0.03    -0.07  -0.03   0.02     0.18   0.17  -0.01
    27   1    -0.12  -0.11  -0.09     0.15   0.09   0.09    -0.08   0.01  -0.10
    28   1    -0.01  -0.05  -0.06     0.09   0.06   0.07    -0.21  -0.10  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    831.0843               862.9291               888.2313
 Red. masses --      2.2147                 2.3821                 2.1386
 Frc consts  --      0.9013                 1.0451                 0.9941
 IR Inten    --      0.5753                 0.6841                 0.7077
 RamAct Fr= 1--      2.2898                 7.6890                 3.6273
  Dep-P Fr= 1--      0.1235                 0.6504                 0.2860
  Dep-U Fr= 1--      0.2199                 0.7882                 0.4448
 Alpha2 Fr= 1--      0.0378                 0.0137                 0.0388
 Beta2  Fr= 1--      0.0839                 1.0100                 0.2689
 AlphaG Fr= 1--      0.0381                 0.1214                 0.0323
 Gamma2 Fr= 1--      0.0022                 5.6770                -2.3199
 Delta2 Fr= 1--      0.1480                 2.6157                -0.7576
 Raman1 Fr= 1--       9.159                 30.756                 14.509
 ROA1   Fr= 1--       4.945                628.691               -246.954
 CID1   Fr= 1--       0.540                 20.441                -17.021
 Raman2 Fr= 1--       1.007                 12.121                  3.227
 ROA2   Fr= 1--      -1.132                115.321                -49.617
 CID2   Fr= 1--      -1.124                  9.515                -15.377
 Raman3 Fr= 1--       2.014                 24.241                  6.453
 ROA3   Fr= 1--       4.945                628.691               -246.954
 CID3   Fr= 1--       2.456                 25.935                -38.267
 RC180  Fr= 1--      -0.560                  0.576                 -0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05   0.07     0.11  -0.02   0.02    -0.12   0.09   0.08
     2   6     0.02  -0.00  -0.05    -0.03   0.07  -0.01     0.04  -0.04  -0.03
     3   6    -0.03   0.13   0.04    -0.04  -0.08  -0.01     0.05  -0.04  -0.01
     4   6     0.16   0.05  -0.08    -0.12   0.03  -0.07    -0.04  -0.06  -0.10
     5   6    -0.04  -0.08   0.03    -0.05  -0.11   0.04     0.05  -0.05   0.03
     6   6     0.01   0.13   0.02     0.12   0.03   0.14     0.05   0.03  -0.05
     7   6    -0.01  -0.11  -0.05     0.05   0.11  -0.08     0.04   0.07   0.15
     8   1    -0.29  -0.14   0.00     0.04   0.07  -0.07    -0.38   0.15  -0.09
     9   6     0.01   0.00  -0.02    -0.04   0.01  -0.03     0.02  -0.03  -0.02
    10   1     0.01  -0.12  -0.06    -0.20   0.05   0.02     0.05  -0.17  -0.04
    11   1     0.26  -0.00   0.01    -0.18   0.12  -0.07    -0.20  -0.10  -0.38
    12   6    -0.01  -0.03  -0.00    -0.02  -0.05  -0.00     0.01  -0.03  -0.02
    13   6    -0.01  -0.03   0.01    -0.01  -0.04   0.01    -0.07   0.03   0.04
    14   1    -0.01   0.13   0.14     0.17   0.03   0.35    -0.01   0.03  -0.28
    15   1    -0.30  -0.38  -0.11     0.09   0.33  -0.20     0.13   0.09   0.22
    16   1    -0.09  -0.03   0.15    -0.02   0.07   0.03     0.08   0.00   0.04
    17   1     0.03   0.05  -0.04     0.03   0.08  -0.06    -0.02  -0.00  -0.12
    18   1    -0.01   0.00  -0.19    -0.02   0.00  -0.27    -0.01   0.01  -0.05
    19   1     0.05   0.08   0.14     0.06   0.11   0.21     0.00   0.03   0.07
    20   1     0.03   0.10  -0.03     0.05   0.06  -0.02    -0.15   0.12   0.02
    21   1     0.24  -0.05  -0.07     0.22  -0.06  -0.06     0.04  -0.01  -0.05
    22   1    -0.17   0.18   0.03    -0.15   0.15   0.05    -0.10   0.08  -0.01
    23   1     0.06  -0.14  -0.05     0.18  -0.04  -0.05     0.11  -0.05  -0.15
    24   1    -0.20   0.09   0.07    -0.19  -0.06   0.06     0.08  -0.10  -0.09
    25   1    -0.05   0.18   0.02     0.09  -0.09  -0.08     0.23   0.02  -0.15
    26   1    -0.14  -0.06   0.01    -0.17  -0.16  -0.00    -0.14  -0.01   0.01
    27   1     0.12   0.10   0.08    -0.02  -0.08   0.07     0.17   0.17   0.08
    28   1    -0.03   0.02   0.07     0.15   0.06   0.11    -0.17  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    906.5927               931.4419               952.0107
 Red. masses --      2.1038                 2.0777                 1.5605
 Frc consts  --      1.0188                 1.0620                 0.8333
 IR Inten    --      0.3266                 0.2165                 0.9709
 RamAct Fr= 1--      1.0059                 4.2797                 3.6612
  Dep-P Fr= 1--      0.7494                 0.4260                 0.7080
  Dep-U Fr= 1--      0.8568                 0.5975                 0.8291
 Alpha2 Fr= 1--      0.0000                 0.0288                 0.0027
 Beta2  Fr= 1--      0.1436                 0.4262                 0.5059
 AlphaG Fr= 1--     -0.0001                -0.0296                 0.0001
 Gamma2 Fr= 1--      0.0376                -3.8184                 0.2703
 Delta2 Fr= 1--     -0.2477                -2.2125                 0.2512
 Raman1 Fr= 1--       4.024                 17.119                 14.645
 ROA1   Fr= 1--      -4.311               -437.365                 33.990
 CID1   Fr= 1--      -1.071                -25.549                  2.321
 Raman2 Fr= 1--       1.724                  5.114                  6.071
 ROA2   Fr= 1--       2.885                -73.941                  4.479
 CID2   Fr= 1--       1.674                -14.458                  0.738
 Raman3 Fr= 1--       3.447                 10.229                 12.142
 ROA3   Fr= 1--      -4.311               -437.365                 33.990
 CID3   Fr= 1--      -1.251                -42.759                  2.799
 RC180  Fr= 1--       0.714                  0.195                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05    -0.07  -0.04   0.04     0.01   0.03   0.03
     2   6     0.07  -0.09   0.01    -0.03  -0.04  -0.04     0.01  -0.00  -0.00
     3   6     0.05   0.01  -0.02     0.02   0.10  -0.00    -0.01  -0.03  -0.03
     4   6    -0.07  -0.05   0.09    -0.00  -0.10  -0.04    -0.01  -0.00   0.01
     5   6    -0.04  -0.00   0.00    -0.03   0.04  -0.02    -0.09   0.05   0.04
     6   6     0.03   0.16   0.08    -0.08  -0.11   0.12     0.00   0.02  -0.03
     7   6    -0.10   0.02  -0.10     0.05   0.09  -0.05     0.02  -0.01   0.05
     8   1     0.11   0.01   0.04    -0.21  -0.19   0.05    -0.07   0.11  -0.06
     9   6     0.02  -0.07  -0.02     0.08   0.04  -0.02    -0.00  -0.00  -0.01
    10   1     0.01  -0.05   0.02    -0.21  -0.07  -0.00     0.05  -0.09  -0.02
    11   1     0.01  -0.06   0.20     0.07  -0.25  -0.09     0.02   0.02   0.08
    12   6    -0.01  -0.00   0.00     0.01   0.06   0.01    -0.11   0.03  -0.04
    13   6     0.02  -0.03  -0.02     0.03  -0.02  -0.03     0.11  -0.04   0.01
    14   1     0.17   0.16   0.17    -0.05  -0.12   0.28     0.03   0.02  -0.04
    15   1     0.16  -0.07   0.21     0.04   0.12  -0.09    -0.05  -0.03   0.01
    16   1     0.02  -0.10  -0.39     0.19   0.43  -0.12    -0.01  -0.00   0.12
    17   1     0.01   0.01   0.02    -0.01  -0.08   0.15     0.20   0.09   0.52
    18   1    -0.00  -0.01  -0.04     0.05  -0.04   0.23     0.11  -0.21  -0.36
    19   1     0.01   0.01   0.02    -0.06  -0.13  -0.25     0.15  -0.12  -0.33
    20   1     0.14  -0.04  -0.03     0.11  -0.05  -0.02    -0.17   0.07  -0.01
    21   1     0.07  -0.00   0.01     0.01   0.00   0.01     0.15  -0.16  -0.16
    22   1    -0.04   0.04   0.04     0.02  -0.01   0.02     0.21  -0.15  -0.19
    23   1    -0.12   0.07   0.04    -0.01  -0.05  -0.02     0.07  -0.06  -0.04
    24   1     0.28  -0.00  -0.11     0.01   0.10   0.01     0.01   0.03   0.02
    25   1     0.02  -0.01   0.01     0.12   0.05  -0.03     0.06  -0.10  -0.02
    26   1    -0.12   0.11   0.02    -0.12  -0.06   0.02    -0.05  -0.03  -0.00
    27   1     0.25   0.30   0.09     0.21   0.12   0.14     0.02   0.01   0.02
    28   1    -0.41  -0.12  -0.04     0.10   0.08   0.13    -0.00   0.00   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    966.3209               969.1494              1011.2833
 Red. masses --      1.5736                 1.6870                 1.5167
 Frc consts  --      0.8658                 0.9335                 0.9139
 IR Inten    --      1.5741                 0.5026                 0.0983
 RamAct Fr= 1--      1.7897                 1.6885                 1.2084
  Dep-P Fr= 1--      0.5759                 0.7498                 0.4079
  Dep-U Fr= 1--      0.7309                 0.8570                 0.5795
 Alpha2 Fr= 1--      0.0059                 0.0000                 0.0087
 Beta2  Fr= 1--      0.2180                 0.2412                 0.1167
 AlphaG Fr= 1--      0.0090                -0.0002                 0.0097
 Gamma2 Fr= 1--     -1.5182                 2.5377                -0.5946
 Delta2 Fr= 1--     -1.1839                 1.8490                 0.1081
 Raman1 Fr= 1--       7.159                  6.754                  4.834
 ROA1   Fr= 1--    -183.631                302.787                -53.625
 CID1   Fr= 1--     -25.652                 44.832                -11.094
 Raman2 Fr= 1--       2.616                  2.894                  1.400
 ROA2   Fr= 1--     -26.965                 46.113                -15.136
 CID2   Fr= 1--     -10.307                 15.933                -10.808
 Raman3 Fr= 1--       5.232                  5.788                  2.801
 ROA3   Fr= 1--    -183.631                302.787                -53.625
 CID3   Fr= 1--     -35.095                 52.312                -19.145
 RC180  Fr= 1--       0.462                  0.714                  0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03    -0.00   0.07   0.03     0.07   0.06  -0.02
     2   6    -0.04   0.01  -0.01     0.01  -0.02   0.00     0.06   0.01  -0.03
     3   6     0.09  -0.02   0.08    -0.01  -0.06  -0.03    -0.07  -0.01   0.03
     4   6     0.04   0.05  -0.05     0.02   0.05   0.01    -0.02  -0.03  -0.00
     5   6    -0.05  -0.00  -0.05    -0.09   0.01  -0.10    -0.01  -0.00   0.00
     6   6     0.04  -0.03  -0.00     0.01  -0.02  -0.01    -0.04   0.01  -0.00
     7   6    -0.02   0.02   0.01     0.03  -0.02   0.06     0.05  -0.01   0.02
     8   1    -0.00  -0.21   0.11    -0.09   0.23  -0.10     0.04   0.04  -0.02
     9   6     0.01   0.00   0.05     0.02  -0.00  -0.02    -0.03  -0.06   0.02
    10   1     0.07   0.27  -0.00    -0.02  -0.15  -0.01     0.22   0.07  -0.05
    11   1    -0.04   0.00  -0.23     0.06   0.13   0.16    -0.10   0.09  -0.01
    12   6    -0.04   0.02   0.05    -0.01   0.02   0.10     0.03   0.08  -0.02
    13   6    -0.00  -0.04  -0.02    -0.00  -0.03  -0.12    -0.04  -0.08   0.01
    14   1     0.16  -0.03   0.08     0.05  -0.02  -0.03    -0.07   0.02   0.06
    15   1     0.14   0.18   0.03    -0.09  -0.05  -0.01    -0.10  -0.03  -0.09
    16   1    -0.05  -0.18  -0.04    -0.05  -0.00   0.20     0.02   0.13   0.17
    17   1     0.09   0.06   0.26     0.03   0.06   0.13    -0.07  -0.15   0.05
    18   1     0.03  -0.05  -0.10    -0.00   0.03   0.02     0.03  -0.00   0.38
    19   1     0.08  -0.02  -0.03     0.02   0.06   0.14    -0.12  -0.16  -0.32
    20   1     0.14  -0.01  -0.04     0.56  -0.31  -0.06     0.13   0.12  -0.06
    21   1     0.12  -0.01  -0.02    -0.17   0.19   0.24     0.36  -0.07  -0.08
    22   1    -0.11   0.11   0.04    -0.12   0.07   0.24    -0.31   0.28   0.08
    23   1    -0.08   0.24  -0.00     0.09  -0.06  -0.06     0.08   0.05  -0.03
    24   1    -0.03  -0.32  -0.18     0.02   0.00   0.02    -0.09  -0.02   0.02
    25   1    -0.01   0.34  -0.09     0.06  -0.12  -0.03    -0.04   0.01   0.00
    26   1     0.25   0.18   0.01    -0.12  -0.06   0.00     0.09   0.12  -0.00
    27   1    -0.12  -0.03  -0.13     0.11   0.06   0.07    -0.04   0.04  -0.08
    28   1    -0.07  -0.05  -0.14    -0.00   0.02   0.07    -0.23  -0.12  -0.13
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1014.2616              1027.3514              1057.1050
 Red. masses --      1.9927                 1.4127                 2.1296
 Frc consts  --      1.2078                 0.8785                 1.4021
 IR Inten    --      0.4369                 0.7530                 1.7641
 RamAct Fr= 1--      5.6318                 0.4399                 0.7676
  Dep-P Fr= 1--      0.3665                 0.7238                 0.7139
  Dep-U Fr= 1--      0.5364                 0.8398                 0.8331
 Alpha2 Fr= 1--      0.0468                 0.0002                 0.0005
 Beta2  Fr= 1--      0.5035                 0.0616                 0.1066
 AlphaG Fr= 1--     -0.0541                 0.0028                 0.0002
 Gamma2 Fr= 1--      0.8603                 0.4678                -0.1714
 Delta2 Fr= 1--     -0.2393                 0.0923                 0.3574
 Raman1 Fr= 1--      22.527                  1.760                  3.071
 ROA1   Fr= 1--      74.927                 47.857                 -5.022
 CID1   Fr= 1--       3.326                 27.196                 -1.636
 Raman2 Fr= 1--       6.042                  0.739                  1.279
 ROA2   Fr= 1--      22.561                 10.488                 -6.974
 CID2   Fr= 1--       3.734                 14.194                 -5.452
 Raman3 Fr= 1--      12.083                  1.478                  2.558
 ROA3   Fr= 1--      74.927                 47.857                 -5.022
 CID3   Fr= 1--       6.201                 32.384                 -1.963
 RC180  Fr= 1--       0.073                  0.680                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.04    -0.04  -0.03   0.02     0.04   0.05  -0.02
     2   6     0.06   0.08  -0.04    -0.04  -0.02   0.03     0.13   0.07   0.03
     3   6     0.03   0.06  -0.05     0.03   0.02  -0.05    -0.10   0.01   0.07
     4   6    -0.07  -0.12   0.03     0.01   0.00   0.04     0.09  -0.11  -0.03
     5   6    -0.02   0.02   0.01    -0.01  -0.00   0.00     0.02  -0.03  -0.07
     6   6     0.02   0.12  -0.03     0.06   0.02  -0.05     0.09  -0.04   0.01
     7   6     0.05   0.00   0.06    -0.05   0.00   0.00    -0.07   0.05   0.01
     8   1    -0.13  -0.29   0.08    -0.01   0.05  -0.01     0.05   0.02   0.01
     9   6    -0.09  -0.01   0.03    -0.01   0.08  -0.01    -0.10  -0.01  -0.05
    10   1     0.33   0.09  -0.09    -0.09  -0.21   0.02    -0.01   0.12   0.06
    11   1     0.03  -0.35  -0.05     0.08  -0.10   0.05     0.07  -0.24  -0.19
    12   6    -0.01  -0.02  -0.00     0.02   0.05  -0.02    -0.04   0.03   0.04
    13   6     0.02   0.01  -0.06    -0.03  -0.06   0.01    -0.03   0.02  -0.01
    14   1    -0.04   0.12   0.14     0.20   0.03  -0.14     0.14  -0.04  -0.14
    15   1     0.03   0.14  -0.05     0.15   0.15   0.07     0.04  -0.22   0.31
    16   1     0.01   0.09   0.19    -0.11  -0.32  -0.05     0.17   0.20  -0.35
    17   1     0.00   0.02  -0.03    -0.05  -0.10   0.03     0.08   0.06   0.25
    18   1    -0.02   0.01  -0.06     0.03  -0.01   0.23     0.04  -0.06  -0.09
    19   1     0.01   0.03   0.06    -0.07  -0.10  -0.21     0.07  -0.02  -0.05
    20   1     0.21  -0.17  -0.01     0.08   0.10  -0.04     0.03  -0.03  -0.00
    21   1    -0.17   0.10   0.13     0.26  -0.06  -0.06    -0.09   0.05   0.04
    22   1     0.04  -0.05   0.10    -0.22   0.20   0.05    -0.04   0.02   0.03
    23   1    -0.02  -0.16   0.04    -0.09  -0.17   0.05    -0.04  -0.08   0.05
    24   1     0.08   0.17   0.04     0.18   0.10  -0.02    -0.10  -0.03   0.02
    25   1     0.16  -0.12  -0.01    -0.05  -0.11   0.07    -0.33   0.08   0.14
    26   1     0.16   0.04  -0.02    -0.04  -0.18  -0.01    -0.20  -0.20  -0.04
    27   1    -0.28  -0.18  -0.17    -0.11  -0.18   0.03    -0.12  -0.16   0.02
    28   1     0.02  -0.04  -0.12     0.36   0.15   0.12     0.09   0.03   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1075.7647              1103.1734              1110.7312
 Red. masses --      1.4522                 1.6305                 1.3373
 Frc consts  --      0.9902                 1.1691                 0.9721
 IR Inten    --      0.2279                 1.5978                 1.4193
 RamAct Fr= 1--      5.8555                 4.3542                 1.1594
  Dep-P Fr= 1--      0.4914                 0.4473                 0.5177
  Dep-U Fr= 1--      0.6590                 0.6182                 0.6822
 Alpha2 Fr= 1--      0.0301                 0.0270                 0.0053
 Beta2  Fr= 1--      0.6431                 0.4486                 0.1318
 AlphaG Fr= 1--      0.0108                -0.0262                 0.0352
 Gamma2 Fr= 1--     -0.2283                 1.7393                -2.6384
 Delta2 Fr= 1--      0.5718                 0.9239                -1.4155
 Raman1 Fr= 1--      23.422                 17.417                  4.638
 ROA1   Fr= 1--      -3.621                196.543               -298.580
 CID1   Fr= 1--      -0.155                 11.285                -64.383
 Raman2 Fr= 1--       7.717                  5.383                  1.582
 ROA2   Fr= 1--     -10.055                 34.353                -51.997
 CID2   Fr= 1--      -1.303                  6.382                -32.869
 Raman3 Fr= 1--      15.434                 10.766                  3.164
 ROA3   Fr= 1--      -3.621                196.543               -298.580
 CID3   Fr= 1--      -0.235                 18.255                -94.371
 RC180  Fr= 1--       0.318                  0.236                  0.364
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.03    -0.05  -0.01   0.06    -0.01   0.05   0.00
     2   6     0.07   0.09   0.02     0.10   0.04  -0.06     0.04  -0.06  -0.04
     3   6     0.03  -0.03  -0.03     0.04  -0.03  -0.07    -0.00  -0.02  -0.01
     4   6     0.06   0.06   0.01    -0.00   0.08  -0.01     0.04   0.03   0.03
     5   6     0.01  -0.03  -0.03     0.00  -0.02  -0.01     0.01   0.06  -0.01
     6   6    -0.04  -0.04   0.00     0.01  -0.09   0.06    -0.07  -0.02  -0.01
     7   6    -0.03  -0.00  -0.01    -0.06   0.05  -0.00    -0.03  -0.03   0.01
     8   1     0.02   0.14  -0.04    -0.26  -0.24   0.07    -0.02   0.10  -0.04
     9   6    -0.02  -0.06  -0.05    -0.06  -0.01   0.00    -0.02   0.04   0.02
    10   1     0.13  -0.04  -0.01     0.12   0.19  -0.04     0.28  -0.31  -0.12
    11   1     0.09  -0.09  -0.11     0.07   0.38   0.41    -0.21   0.11  -0.26
    12   6    -0.00   0.02   0.01     0.01   0.01  -0.00    -0.01  -0.05   0.01
    13   6    -0.00   0.02   0.01    -0.00  -0.00   0.02     0.00  -0.02   0.01
    14   1    -0.43  -0.05   0.34    -0.05  -0.09   0.02     0.19  -0.01   0.49
    15   1     0.22   0.44  -0.12    -0.07  -0.27   0.22     0.04   0.07   0.00
    16   1    -0.13  -0.28   0.02     0.03   0.01  -0.20     0.12   0.24  -0.11
    17   1     0.01  -0.01   0.07    -0.02  -0.03  -0.02     0.02   0.07  -0.09
    18   1     0.02  -0.01   0.06    -0.00   0.01   0.08    -0.04   0.03  -0.14
    19   1    -0.01  -0.03  -0.06    -0.03  -0.01  -0.02     0.05   0.08   0.17
    20   1    -0.08   0.01   0.02    -0.07   0.05   0.01    -0.01   0.06  -0.01
    21   1    -0.04  -0.01  -0.02     0.05  -0.04  -0.04     0.10  -0.03  -0.04
    22   1     0.03  -0.03  -0.02    -0.00   0.00  -0.04    -0.04   0.04  -0.02
    23   1    -0.06  -0.20   0.05     0.06  -0.05  -0.05    -0.02  -0.10   0.00
    24   1     0.03   0.02   0.02     0.13   0.05  -0.01     0.21  -0.01  -0.07
    25   1    -0.17  -0.05   0.10     0.35  -0.15  -0.16    -0.15  -0.02   0.08
    26   1    -0.22  -0.04  -0.01     0.04  -0.03  -0.02     0.12  -0.05  -0.01
    27   1     0.12   0.11   0.06    -0.15  -0.12  -0.07    -0.15  -0.14  -0.06
    28   1    -0.21  -0.06   0.02     0.03  -0.02  -0.06     0.17   0.05  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7536              1180.1803              1193.5164
 Red. masses --      1.5369                 2.0135                 1.9676
 Frc consts  --      1.1496                 1.6523                 1.6514
 IR Inten    --      0.2296                 0.9376                 2.6898
 RamAct Fr= 1--      4.3491                 3.0853                 6.7322
  Dep-P Fr= 1--      0.5891                 0.6725                 0.6185
  Dep-U Fr= 1--      0.7414                 0.8042                 0.7643
 Alpha2 Fr= 1--      0.0130                 0.0042                 0.0162
 Beta2  Fr= 1--      0.5374                 0.4135                 0.8575
 AlphaG Fr= 1--      0.0131                -0.0531                 0.0547
 Gamma2 Fr= 1--     -1.3066                -0.5861                 1.5304
 Delta2 Fr= 1--     -0.7142                -0.7450                 0.7800
 Raman1 Fr= 1--      17.396                 12.341                 26.929
 ROA1   Fr= 1--    -148.289                -80.106                171.879
 CID1   Fr= 1--      -8.524                 -6.491                  6.383
 Raman2 Fr= 1--       6.449                  4.962                 10.290
 ROA2   Fr= 1--     -25.644                 -8.106                 30.490
 CID2   Fr= 1--      -3.976                 -1.633                  2.963
 Raman3 Fr= 1--      12.898                  9.925                 20.581
 ROA3   Fr= 1--    -148.289                -80.106                171.879
 CID3   Fr= 1--     -11.497                 -8.071                  8.351
 RC180  Fr= 1--       0.483                  0.608                  0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.06     0.04  -0.06   0.08    -0.05  -0.02  -0.03
     2   6     0.06   0.02   0.09    -0.10   0.09  -0.01     0.07   0.06   0.09
     3   6     0.06   0.04   0.03    -0.01   0.02  -0.08     0.05  -0.03   0.04
     4   6    -0.06   0.01   0.02     0.03  -0.00   0.10    -0.04   0.02  -0.03
     5   6     0.04  -0.01  -0.04     0.09   0.07  -0.05    -0.11   0.12   0.02
     6   6    -0.02   0.02  -0.00     0.03  -0.04  -0.07    -0.03  -0.03  -0.09
     7   6     0.07  -0.04  -0.02    -0.05  -0.07   0.02    -0.00  -0.04   0.04
     8   1     0.08  -0.20   0.08    -0.11  -0.04  -0.01     0.11   0.06   0.01
     9   6    -0.03   0.01  -0.07     0.05  -0.05   0.00    -0.02  -0.02  -0.08
    10   1    -0.07  -0.02   0.11    -0.26   0.35   0.05     0.07   0.20   0.10
    11   1    -0.36   0.34  -0.10    -0.18   0.07  -0.15     0.23  -0.22   0.15
    12   6    -0.03   0.01   0.02    -0.04  -0.02   0.02     0.06  -0.05  -0.01
    13   6    -0.03  -0.01   0.01    -0.05  -0.05   0.01     0.04  -0.05   0.02
    14   1    -0.21   0.01  -0.13     0.19  -0.03  -0.06     0.36  -0.02   0.06
    15   1    -0.16  -0.15  -0.15     0.06   0.08  -0.00     0.01   0.04   0.00
    16   1     0.03   0.17   0.18     0.16   0.30  -0.16     0.11   0.23  -0.00
    17   1     0.05   0.05   0.13     0.07   0.11   0.07    -0.06  -0.02  -0.30
    18   1     0.02  -0.04  -0.09    -0.01  -0.02  -0.18    -0.10   0.15   0.08
    19   1     0.06   0.00  -0.01     0.10   0.05   0.08    -0.09   0.07   0.19
    20   1     0.01   0.04  -0.01     0.06   0.12  -0.04     0.01   0.07  -0.02
    21   1     0.04   0.00   0.01     0.18  -0.02  -0.01     0.21  -0.10  -0.10
    22   1    -0.08   0.07   0.02    -0.20   0.17   0.02     0.03  -0.00  -0.09
    23   1    -0.19  -0.07   0.10     0.14  -0.07  -0.02    -0.10   0.04   0.03
    24   1     0.38  -0.08  -0.21     0.06   0.19   0.07    -0.27  -0.11   0.07
    25   1     0.06   0.11  -0.01     0.05  -0.19   0.02     0.14   0.10  -0.09
    26   1    -0.23  -0.18  -0.03    -0.03   0.16   0.03    -0.27  -0.14  -0.03
    27   1     0.04  -0.05   0.11     0.16   0.20   0.01     0.10   0.02   0.10
    28   1     0.08   0.06   0.12    -0.22  -0.08  -0.01    -0.04   0.03   0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1227.7599              1233.1765              1240.2200
 Red. masses --      1.8132                 1.4208                 2.2432
 Frc consts  --      1.6104                 1.2730                 2.0329
 IR Inten    --      0.3166                 1.4882                 1.4598
 RamAct Fr= 1--      5.4473                 2.5975                 1.4130
  Dep-P Fr= 1--      0.7483                 0.6414                 0.2756
  Dep-U Fr= 1--      0.8560                 0.7815                 0.4321
 Alpha2 Fr= 1--      0.0002                 0.0051                 0.0156
 Beta2  Fr= 1--      0.7772                 0.3383                 0.1018
 AlphaG Fr= 1--      0.0012                -0.0226                -0.0172
 Gamma2 Fr= 1--      1.2702                -1.1306                -0.7180
 Delta2 Fr= 1--      0.1296                 0.1073                -0.1242
 Raman1 Fr= 1--      21.789                 10.390                  5.652
 ROA1   Fr= 1--     126.082               -105.099                -72.903
 CID1   Fr= 1--       5.786                -10.115                -12.898
 Raman2 Fr= 1--       9.326                  4.060                  1.221
 ROA2   Fr= 1--      29.447                -27.992                -16.238
 CID2   Fr= 1--       3.157                 -6.894                -13.297
 Raman3 Fr= 1--      18.652                  8.120                  2.442
 ROA3   Fr= 1--     126.082               -105.099                -72.903
 CID3   Fr= 1--       6.760                -12.943                -29.849
 RC180  Fr= 1--       0.712                  0.563                 -0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.02    -0.05  -0.04  -0.03    -0.02   0.01   0.04
     2   6     0.03  -0.05   0.01    -0.01  -0.02  -0.03     0.05   0.01  -0.03
     3   6    -0.06  -0.00   0.01     0.06   0.01   0.01     0.04  -0.04  -0.01
     4   6     0.01  -0.08  -0.04    -0.06   0.04  -0.00     0.03   0.05   0.02
     5   6     0.09   0.16  -0.06     0.09  -0.00   0.00    -0.04   0.12   0.23
     6   6    -0.05  -0.01   0.07     0.07   0.01   0.02     0.02  -0.05   0.08
     7   6     0.01   0.02  -0.00    -0.04  -0.06   0.01    -0.02  -0.01  -0.08
     8   1    -0.09  -0.21   0.07     0.23   0.38  -0.11    -0.04   0.07  -0.01
     9   6    -0.01   0.01  -0.00    -0.01   0.02   0.02    -0.01  -0.00   0.00
    10   1    -0.01  -0.01   0.02     0.11  -0.23  -0.07    -0.05   0.13   0.01
    11   1     0.26  -0.10   0.32     0.15  -0.07   0.21    -0.14  -0.08  -0.39
    12   6    -0.04  -0.07   0.03    -0.03   0.01  -0.00     0.00  -0.03  -0.06
    13   6    -0.03  -0.05   0.02    -0.03  -0.01  -0.01     0.01  -0.04  -0.08
    14   1    -0.32  -0.01  -0.23    -0.37  -0.01  -0.01    -0.29  -0.07  -0.51
    15   1     0.14   0.29  -0.09     0.03   0.04  -0.00    -0.03  -0.05  -0.08
    16   1    -0.14  -0.30   0.10     0.18   0.39  -0.15    -0.02   0.01  -0.09
    17   1     0.09   0.17  -0.04     0.03   0.03   0.10    -0.04  -0.02  -0.18
    18   1    -0.06   0.03  -0.24     0.04  -0.07  -0.07    -0.03   0.02  -0.15
    19   1     0.13   0.09   0.20     0.07  -0.02  -0.06    -0.05  -0.05  -0.09
    20   1     0.05   0.14  -0.04     0.05   0.02  -0.02     0.30  -0.14  -0.06
    21   1     0.19  -0.03  -0.02     0.03   0.03   0.04     0.05   0.10   0.12
    22   1    -0.15   0.14  -0.01    -0.10   0.08   0.06    -0.05   0.00   0.16
    23   1     0.05   0.12  -0.04    -0.10   0.02   0.02     0.01  -0.10  -0.00
    24   1     0.01   0.00  -0.01    -0.35  -0.02   0.14     0.05  -0.03  -0.01
    25   1     0.07  -0.03  -0.04     0.15   0.10  -0.09    -0.22   0.03   0.10
    26   1     0.01  -0.04  -0.01     0.07  -0.00   0.00     0.01  -0.01  -0.00
    27   1    -0.03  -0.05   0.00    -0.05  -0.04  -0.02    -0.04  -0.03  -0.02
    28   1     0.05   0.02  -0.00     0.05   0.01  -0.02    -0.01  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1252.6331              1268.4988              1301.0037
 Red. masses --      1.5828                 1.5510                 1.8904
 Frc consts  --      1.4633                 1.4704                 1.8852
 IR Inten    --      1.3783                 1.5234                 2.2020
 RamAct Fr= 1--      3.2198                 3.4167                 7.0146
  Dep-P Fr= 1--      0.3268                 0.5500                 0.4093
  Dep-U Fr= 1--      0.4926                 0.7097                 0.5808
 Alpha2 Fr= 1--      0.0304                 0.0131                 0.0503
 Beta2  Fr= 1--      0.2643                 0.4041                 0.6790
 AlphaG Fr= 1--      0.0982                 0.0164                -0.0228
 Gamma2 Fr= 1--     -0.0966                 0.3407                 1.1374
 Delta2 Fr= 1--     -0.7331                 0.6339                 0.3458
 Raman1 Fr= 1--      12.879                 13.667                 28.058
 ROA1   Fr= 1--     -32.734                 52.994                120.253
 CID1   Fr= 1--      -2.542                  3.878                  4.286
 Raman2 Fr= 1--       3.172                  4.850                  8.148
 ROA2   Fr= 1--       3.546                  3.106                 24.531
 CID2   Fr= 1--       1.118                  0.640                  3.011
 Raman3 Fr= 1--       6.344                  9.699                 16.297
 ROA3   Fr= 1--     -32.734                 52.994                120.253
 CID3   Fr= 1--      -5.160                  5.464                  7.379
 RC180  Fr= 1--      -0.015                  0.419                  0.162
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.05     0.03   0.04   0.01    -0.03  -0.00   0.02
     2   6     0.04  -0.05   0.07     0.00  -0.02  -0.00     0.05  -0.07  -0.01
     3   6    -0.04  -0.02  -0.03    -0.01  -0.02  -0.00    -0.00  -0.03  -0.05
     4   6     0.07   0.01   0.04     0.01   0.03  -0.05     0.01   0.07   0.15
     5   6     0.06  -0.05   0.09    -0.08  -0.04  -0.03    -0.08   0.00  -0.14
     6   6    -0.05   0.03  -0.04     0.03   0.06   0.05     0.03   0.03   0.06
     7   6    -0.04  -0.04  -0.00    -0.05  -0.14   0.04     0.03  -0.01  -0.05
     8   1    -0.10  -0.32   0.11    -0.15  -0.26   0.08    -0.01   0.05  -0.00
     9   6    -0.01   0.02  -0.04    -0.01   0.00   0.01    -0.02   0.03   0.00
    10   1     0.03   0.07   0.09    -0.06  -0.01   0.01    -0.05   0.14   0.04
    11   1    -0.11   0.12  -0.13     0.09   0.09   0.13    -0.09  -0.39  -0.47
    12   6    -0.03   0.03  -0.03     0.03   0.01   0.01     0.03  -0.00   0.03
    13   6    -0.02   0.02  -0.04     0.03   0.02   0.01     0.03  -0.01   0.05
    14   1     0.11   0.03   0.14    -0.07   0.06  -0.34    -0.29   0.02  -0.15
    15   1     0.14   0.27  -0.07     0.22   0.48  -0.17    -0.07  -0.16  -0.03
    16   1     0.00  -0.00  -0.06     0.19   0.42  -0.09    -0.02   0.02   0.06
    17   1     0.00  -0.02   0.07    -0.04  -0.06  -0.02     0.00  -0.00  -0.01
    18   1     0.04  -0.07  -0.03    -0.01   0.04   0.11    -0.04   0.08   0.09
    19   1     0.04  -0.05  -0.15    -0.08  -0.01   0.01    -0.06   0.03   0.09
    20   1     0.09  -0.10  -0.01    -0.09  -0.03   0.03    -0.16   0.10   0.02
    21   1    -0.09   0.09   0.09    -0.05  -0.04  -0.06    -0.00  -0.10  -0.10
    22   1    -0.02  -0.01   0.11     0.08  -0.05  -0.05     0.01   0.04  -0.13
    23   1     0.07   0.35  -0.09     0.05  -0.01  -0.02     0.18   0.34  -0.14
    24   1    -0.35   0.08   0.20     0.22  -0.03  -0.10    -0.18   0.05   0.11
    25   1     0.38  -0.08  -0.21    -0.19  -0.01   0.08     0.11  -0.11  -0.06
    26   1    -0.09  -0.11  -0.02     0.04   0.01   0.00     0.04  -0.07  -0.01
    27   1     0.02  -0.06   0.07    -0.02  -0.02  -0.00    -0.05  -0.07   0.02
    28   1     0.07   0.05   0.07     0.02   0.00  -0.01     0.09   0.03  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1323.1731              1332.6604              1350.7865
 Red. masses --      1.3851                 1.6423                 1.4411
 Frc consts  --      1.4288                 1.7184                 1.5492
 IR Inten    --      0.1637                 1.1869                 0.0926
 RamAct Fr= 1--      3.6520                 2.6932                 2.0068
  Dep-P Fr= 1--      0.6647                 0.5608                 0.6316
  Dep-U Fr= 1--      0.7986                 0.7186                 0.7742
 Alpha2 Fr= 1--      0.0055                 0.0097                 0.0043
 Beta2  Fr= 1--      0.4861                 0.3226                 0.2589
 AlphaG Fr= 1--      0.0051                 0.0135                -0.0005
 Gamma2 Fr= 1--      3.7140                -1.9721                -0.8589
 Delta2 Fr= 1--      2.2234                -1.0608                -0.6759
 Raman1 Fr= 1--      14.608                 10.773                  8.027
 ROA1   Fr= 1--     427.692               -223.269               -104.080
 CID1   Fr= 1--      29.278                -20.726                -12.966
 Raman2 Fr= 1--       5.833                  3.871                  3.107
 ROA2   Fr= 1--      71.349                -38.845                -15.206
 CID2   Fr= 1--      12.232                -10.035                 -4.894
 Raman3 Fr= 1--      11.666                  7.741                  6.215
 ROA3   Fr= 1--     427.692               -223.269               -104.080
 CID3   Fr= 1--      36.662                -28.841                -16.747
 RC180  Fr= 1--       0.597                  0.437                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.01     0.01   0.00  -0.06    -0.01  -0.09   0.04
     2   6     0.02  -0.01  -0.06    -0.01   0.06  -0.00    -0.01  -0.08   0.00
     3   6     0.03   0.03   0.01    -0.04   0.03   0.04    -0.08   0.05   0.03
     4   6     0.03  -0.05   0.03     0.10  -0.08   0.03     0.05  -0.05  -0.04
     5   6     0.01  -0.03  -0.04    -0.12   0.05  -0.02    -0.04   0.01   0.03
     6   6    -0.10   0.01   0.10     0.08  -0.01  -0.01     0.03   0.01  -0.02
     7   6     0.01  -0.02  -0.02    -0.03   0.01   0.01    -0.02  -0.00   0.02
     8   1     0.13   0.31  -0.09     0.08  -0.03  -0.00     0.17   0.44  -0.16
     9   6    -0.01   0.00  -0.01     0.01  -0.01   0.03    -0.01   0.02  -0.03
    10   1     0.19   0.25  -0.06    -0.20  -0.42  -0.03     0.20   0.48   0.03
    11   1    -0.16   0.21  -0.01    -0.27   0.33  -0.11    -0.05   0.20   0.05
    12   6    -0.01  -0.00   0.00     0.04  -0.01   0.02     0.01  -0.01  -0.00
    13   6     0.01   0.01   0.01     0.03  -0.01   0.01     0.01   0.01  -0.01
    14   1     0.42   0.03  -0.40    -0.30  -0.02  -0.01    -0.21   0.00   0.12
    15   1     0.08   0.19  -0.11     0.08   0.06   0.08     0.07   0.09   0.03
    16   1    -0.06  -0.10   0.05    -0.02  -0.05  -0.05     0.01   0.00  -0.03
    17   1     0.03   0.02   0.05    -0.06  -0.03  -0.14    -0.00   0.00  -0.04
    18   1    -0.01   0.00   0.03    -0.02   0.07  -0.04    -0.03   0.04   0.02
    19   1     0.02   0.02   0.03    -0.10  -0.02   0.03    -0.03  -0.02  -0.02
    20   1    -0.07   0.02   0.01    -0.02   0.01   0.00     0.01  -0.04   0.00
    21   1    -0.06  -0.01  -0.00    -0.01  -0.05  -0.04    -0.01   0.00  -0.01
    22   1     0.02   0.00  -0.02     0.02   0.00  -0.07     0.02  -0.02   0.01
    23   1    -0.16  -0.34   0.09    -0.20  -0.20   0.11     0.15   0.27  -0.06
    24   1    -0.25   0.04   0.13    -0.11   0.03   0.06     0.37   0.03  -0.16
    25   1     0.13   0.04  -0.05     0.43   0.01  -0.20     0.16  -0.01  -0.06
    26   1     0.01  -0.03  -0.02     0.04   0.07   0.03    -0.01  -0.07  -0.03
    27   1     0.01   0.03   0.00    -0.05   0.00  -0.07     0.04  -0.01   0.08
    28   1     0.06   0.01  -0.03    -0.08  -0.04  -0.05     0.10   0.05   0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1359.4811              1376.3828              1391.6089
 Red. masses --      1.3066                 1.4115                 1.4558
 Frc consts  --      1.4228                 1.5754                 1.6611
 IR Inten    --      0.7444                 0.5669                 1.2329
 RamAct Fr= 1--      1.7491                 2.6783                 2.1290
  Dep-P Fr= 1--      0.6603                 0.6607                 0.4403
  Dep-U Fr= 1--      0.7954                 0.7957                 0.6114
 Alpha2 Fr= 1--      0.0028                 0.0043                 0.0136
 Beta2  Fr= 1--      0.2319                 0.3552                 0.2169
 AlphaG Fr= 1--      0.0028                -0.0163                 0.0352
 Gamma2 Fr= 1--      1.7302                -0.3690                 1.2331
 Delta2 Fr= 1--      0.1627                -0.3591                -0.0475
 Raman1 Fr= 1--       6.996                 10.713                  8.516
 ROA1   Fr= 1--     171.301                -46.913                116.859
 CID1   Fr= 1--      24.484                 -4.379                 13.722
 Raman2 Fr= 1--       2.782                  4.262                  2.603
 ROA2   Fr= 1--      40.223                 -5.983                 29.975
 CID2   Fr= 1--      14.456                 -1.404                 11.515
 Raman3 Fr= 1--       5.565                  8.525                  5.206
 ROA3   Fr= 1--     171.301                -46.913                116.859
 CID3   Fr= 1--      30.783                 -5.503                 22.445
 RC180  Fr= 1--       0.591                  0.591                  0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.00     0.03   0.00  -0.03    -0.05  -0.09   0.01
     2   6    -0.08   0.05   0.05    -0.07   0.04   0.01     0.10   0.10  -0.01
     3   6     0.04   0.02  -0.04    -0.10  -0.02   0.06    -0.04   0.02   0.00
     4   6     0.01  -0.05   0.00     0.01   0.09   0.02     0.00   0.01  -0.01
     5   6    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.00
     6   6     0.04  -0.03   0.05    -0.00  -0.02   0.04    -0.07  -0.01   0.03
     7   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.01     0.00  -0.01  -0.00
     8   1    -0.05  -0.11   0.02     0.03  -0.05   0.00     0.14   0.19  -0.05
     9   6     0.02  -0.01  -0.04     0.01  -0.02  -0.02    -0.04  -0.04   0.03
    10   1     0.68  -0.26  -0.13     0.39  -0.14  -0.10    -0.31  -0.48  -0.01
    11   1    -0.14   0.20   0.03     0.20  -0.37  -0.18     0.03  -0.02   0.00
    12   6     0.00  -0.01  -0.00    -0.01  -0.00  -0.03    -0.00   0.01   0.01
    13   6     0.01  -0.01   0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.00
    14   1     0.01  -0.03  -0.17     0.12  -0.02  -0.16     0.30   0.00  -0.18
    15   1    -0.01  -0.05   0.04    -0.07  -0.03  -0.07     0.01   0.08  -0.07
    16   1    -0.00  -0.02  -0.03     0.03  -0.00  -0.09    -0.00  -0.02   0.00
    17   1     0.02   0.02  -0.02     0.05   0.01   0.09    -0.04  -0.02  -0.02
    18   1    -0.03   0.04   0.02    -0.00  -0.03   0.10     0.04  -0.04  -0.06
    19   1    -0.01   0.00   0.02     0.04   0.06   0.05     0.01  -0.02  -0.02
    20   1    -0.03   0.02  -0.00    -0.03   0.00  -0.00     0.06  -0.03   0.01
    21   1    -0.03  -0.01   0.01    -0.01   0.02   0.03     0.06   0.00  -0.02
    22   1    -0.02   0.03  -0.01    -0.02   0.01   0.05     0.05  -0.07  -0.01
    23   1     0.13   0.37  -0.09    -0.10  -0.16   0.07     0.22   0.49  -0.17
    24   1    -0.13   0.06   0.07     0.34  -0.07  -0.17     0.17   0.00  -0.09
    25   1    -0.25  -0.01   0.12     0.46  -0.06  -0.22     0.05  -0.04  -0.01
    26   1    -0.13   0.03  -0.01    -0.05   0.07  -0.00     0.12   0.12   0.00
    27   1     0.07   0.02   0.04     0.06   0.05   0.02     0.00   0.13  -0.05
    28   1    -0.03   0.03   0.12    -0.02   0.01   0.07     0.10  -0.04  -0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1404.2098              1411.5867              1422.4428
 Red. masses --      1.2616                 1.2346                 1.2177
 Frc consts  --      1.4656                 1.4494                 1.4516
 IR Inten    --      6.5069                 4.4366                 7.0671
 RamAct Fr= 1--      0.4128                 0.2310                 0.3777
  Dep-P Fr= 1--      0.1046                 0.3525                 0.0261
  Dep-U Fr= 1--      0.1893                 0.5212                 0.0509
 Alpha2 Fr= 1--      0.0071                 0.0020                 0.0079
 Beta2  Fr= 1--      0.0130                 0.0201                 0.0032
 AlphaG Fr= 1--      0.0096                 0.0009                -0.0018
 Gamma2 Fr= 1--      0.0831                -0.0668                -0.0015
 Delta2 Fr= 1--     -0.0120                 0.0430                 0.0106
 Raman1 Fr= 1--       1.651                  0.924                  1.511
 ROA1   Fr= 1--       7.596                 -5.040                  0.190
 CID1   Fr= 1--       4.601                 -5.454                  0.126
 Raman2 Fr= 1--       0.156                  0.241                  0.038
 ROA2   Fr= 1--       2.091                 -1.947                 -0.122
 CID2   Fr= 1--      13.375                 -8.086                 -3.165
 Raman3 Fr= 1--       0.313                  0.482                  0.077
 ROA3   Fr= 1--       7.596                 -5.040                  0.190
 CID3   Fr= 1--      24.298                -10.463                  2.477
 RC180  Fr= 1--      -0.621                  0.042                 -0.898
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
     2   6     0.03   0.01  -0.00    -0.00  -0.01   0.01    -0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00     0.01  -0.01  -0.00     0.01   0.01  -0.00
     4   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.01
     5   6    -0.01   0.01   0.03    -0.01   0.01   0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.01     0.02  -0.00  -0.02     0.02  -0.00   0.00
     7   6    -0.00   0.00   0.01    -0.00   0.01   0.00    -0.01  -0.00  -0.01
     8   1     0.03   0.03  -0.00    -0.05  -0.06   0.01    -0.02  -0.01  -0.00
     9   6     0.01   0.01   0.01    -0.11  -0.07  -0.03    -0.01  -0.00   0.00
    10   1    -0.15  -0.06   0.02     0.01   0.04   0.01    -0.02  -0.00   0.00
    11   1    -0.02   0.06   0.02    -0.01   0.02   0.00    -0.05   0.05  -0.02
    12   6    -0.01  -0.02  -0.10     0.00  -0.00  -0.01    -0.02  -0.02  -0.09
    13   6     0.08  -0.05  -0.03     0.02  -0.01  -0.01    -0.08   0.05   0.02
    14   1    -0.01  -0.00   0.01    -0.08  -0.01   0.05    -0.07  -0.00  -0.00
    15   1    -0.02   0.02  -0.02    -0.02  -0.02   0.01     0.06  -0.01   0.06
    16   1     0.02  -0.03  -0.05     0.00  -0.02  -0.02    -0.03   0.03   0.06
    17   1     0.19  -0.00   0.32     0.01  -0.00   0.02     0.17   0.00   0.29
    18   1    -0.05  -0.04   0.41    -0.01   0.01   0.03    -0.04  -0.06   0.39
    19   1     0.08   0.27   0.33    -0.01   0.02   0.03     0.11   0.25   0.30
    20   1    -0.32   0.14  -0.05    -0.06   0.04  -0.01     0.36  -0.15   0.05
    21   1    -0.32   0.06   0.20    -0.06   0.01   0.04     0.37  -0.04  -0.20
    22   1    -0.21   0.29   0.13    -0.05   0.07   0.02     0.23  -0.34  -0.11
    23   1     0.04   0.07  -0.03    -0.06  -0.07   0.04    -0.02  -0.00   0.01
    24   1    -0.01  -0.02  -0.03    -0.06  -0.01   0.03    -0.06  -0.01   0.01
    25   1    -0.04  -0.02   0.03    -0.02   0.01   0.01    -0.01  -0.02   0.02
    26   1    -0.04  -0.03   0.02     0.45   0.30  -0.11     0.04   0.01  -0.01
    27   1    -0.05  -0.04  -0.05     0.30   0.39   0.27     0.01   0.02   0.01
    28   1    -0.06  -0.02  -0.05     0.50   0.07   0.20     0.03   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1486.2610              1487.8690              1493.9979
 Red. masses --      1.0566                 1.0579                 1.0630
 Frc consts  --      1.3752                 1.3798                 1.3980
 IR Inten    --      1.2080                 0.9042                 3.9325
 RamAct Fr= 1--      1.4481                 6.8981                 2.0275
  Dep-P Fr= 1--      0.7325                 0.7491                 0.7459
  Dep-U Fr= 1--      0.8456                 0.8566                 0.8545
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0001
 Beta2  Fr= 1--      0.2041                 0.9848                 0.2887
 AlphaG Fr= 1--     -0.0036                -0.0025                -0.0022
 Gamma2 Fr= 1--      0.4822                -0.4283                -0.8203
 Delta2 Fr= 1--      0.3685                 0.2726                 0.0119
 Raman1 Fr= 1--       5.792                 27.592                  8.110
 ROA1   Fr= 1--      58.083                -32.397                -78.365
 CID1   Fr= 1--      10.027                 -1.174                 -9.663
 Raman2 Fr= 1--       2.449                 11.817                  3.465
 ROA2   Fr= 1--       8.625                -12.460                -19.782
 CID2   Fr= 1--       3.522                 -1.054                 -5.709
 Raman3 Fr= 1--       4.898                 23.635                  6.930
 ROA3   Fr= 1--      58.083                -32.397                -78.365
 CID3   Fr= 1--      11.859                 -1.371                -11.309
 RC180  Fr= 1--       0.691                  0.713                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.03   0.01   0.00    -0.04   0.02   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6    -0.01  -0.02   0.00    -0.00  -0.03  -0.00    -0.01  -0.01  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.00
     5   6    -0.01   0.01   0.02    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.00  -0.02     0.01   0.00   0.02     0.00   0.00   0.02
     8   1    -0.02   0.01  -0.02     0.24  -0.06   0.17     0.35  -0.09   0.25
     9   6     0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.01   0.01
    10   1    -0.00  -0.00  -0.00    -0.02  -0.02   0.00     0.06   0.04   0.00
    11   1     0.01  -0.01  -0.01    -0.01   0.01   0.01    -0.01   0.02   0.00
    12   6    -0.04   0.01   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.00
    13   6     0.02   0.01   0.03     0.00   0.02  -0.02    -0.01  -0.02   0.01
    14   1     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.03   0.00   0.02
    15   1     0.12  -0.03   0.12    -0.10   0.00  -0.08    -0.10   0.02  -0.09
    16   1    -0.06   0.07   0.14     0.05  -0.05  -0.10     0.05  -0.05  -0.11
    17   1    -0.07   0.15  -0.28     0.20   0.33  -0.03    -0.13  -0.17  -0.03
    18   1     0.13  -0.25   0.20    -0.19   0.23   0.13     0.14  -0.19  -0.01
    19   1     0.47   0.03  -0.08     0.07  -0.11  -0.15     0.06   0.08   0.08
    20   1     0.14  -0.22   0.08    -0.23  -0.27   0.09     0.20   0.31  -0.10
    21   1    -0.29  -0.24  -0.27     0.18  -0.04  -0.14    -0.07   0.10   0.19
    22   1    -0.14   0.26  -0.22    -0.01  -0.03   0.35     0.07  -0.06  -0.29
    23   1    -0.02   0.02   0.02     0.18  -0.15  -0.19     0.27  -0.21  -0.28
    24   1     0.08   0.11   0.10     0.09   0.18   0.16     0.07   0.11   0.09
    25   1    -0.03   0.14  -0.08    -0.05   0.22  -0.12    -0.03   0.14  -0.08
    26   1    -0.02   0.03   0.01    -0.08   0.01   0.02    -0.14  -0.01   0.03
    27   1    -0.01   0.01  -0.03    -0.01   0.10  -0.10    -0.01   0.16  -0.14
    28   1     0.01   0.00   0.02     0.09  -0.01  -0.05     0.15  -0.01  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1498.6975              1499.0458              1505.3903
 Red. masses --      1.0529                 1.0533                 1.0693
 Frc consts  --      1.3934                 1.3946                 1.4277
 IR Inten    --      4.2601                 3.5160                 2.1380
 RamAct Fr= 1--      3.1793                 2.9207                11.3717
  Dep-P Fr= 1--      0.7498                 0.6586                 0.7481
  Dep-U Fr= 1--      0.8570                 0.7942                 0.8559
 Alpha2 Fr= 1--      0.0000                 0.0048                 0.0004
 Beta2  Fr= 1--      0.4541                 0.3866                 1.6222
 AlphaG Fr= 1--      0.0001                 0.0012                -0.0010
 Gamma2 Fr= 1--      2.1785                -1.0607                 2.5523
 Delta2 Fr= 1--      1.2822                -0.8767                -0.0888
 Raman1 Fr= 1--      12.717                 11.683                 45.487
 ROA1   Fr= 1--     250.167               -129.885                242.179
 CID1   Fr= 1--      19.671                -11.118                  5.324
 Raman2 Fr= 1--       5.449                  4.639                 19.467
 ROA2   Fr= 1--      42.026                -18.444                 61.965
 CID2   Fr= 1--       7.712                 -3.976                  3.183
 Raman3 Fr= 1--      10.899                  9.278                 38.933
 ROA3   Fr= 1--     250.167               -129.885                242.179
 CID3   Fr= 1--      22.954                -13.999                  6.220
 RC180  Fr= 1--       0.714                  0.588                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.00
     2   6    -0.02   0.03  -0.00     0.02  -0.01  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.02  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.01
     5   6    -0.01   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.02  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.01   0.00   0.00
     7   6     0.00   0.00   0.02     0.01   0.00   0.02     0.01   0.00   0.02
     8   1     0.09  -0.03   0.06     0.08   0.02   0.04    -0.09   0.01  -0.05
     9   6    -0.02   0.04  -0.01     0.02  -0.01  -0.04    -0.00  -0.00   0.01
    10   1     0.01  -0.05  -0.02    -0.08   0.01  -0.00     0.03   0.05   0.01
    11   1    -0.01   0.01  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.01
    12   6    -0.01   0.00   0.00    -0.01   0.01   0.00    -0.02   0.02   0.02
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.03
    14   1     0.02  -0.00  -0.02    -0.00   0.01   0.00    -0.04   0.00  -0.00
    15   1    -0.09   0.01  -0.08    -0.11   0.03  -0.11    -0.14   0.02  -0.13
    16   1     0.04  -0.06  -0.10     0.05  -0.07  -0.11     0.07  -0.08  -0.16
    17   1    -0.03   0.02  -0.08    -0.05  -0.02  -0.06    -0.20  -0.07  -0.26
    18   1     0.05  -0.09   0.05     0.06  -0.10   0.04     0.23  -0.35   0.09
    19   1     0.13   0.02  -0.01     0.10   0.03   0.02     0.36   0.09   0.03
    20   1    -0.02   0.02  -0.01    -0.03   0.03  -0.01    -0.25  -0.05   0.01
    21   1     0.04   0.02   0.02     0.07   0.04   0.04     0.26   0.09   0.06
    22   1     0.02  -0.03   0.03     0.04  -0.06   0.05     0.06  -0.14   0.34
    23   1     0.08  -0.04  -0.07     0.05  -0.05  -0.06    -0.07   0.05   0.07
    24   1     0.03   0.04   0.03     0.01   0.05   0.05    -0.11  -0.14  -0.12
    25   1    -0.01   0.04  -0.02    -0.02   0.06  -0.03     0.02  -0.19   0.12
    26   1     0.45  -0.43  -0.11     0.09   0.45  -0.02    -0.12  -0.03   0.03
    27   1     0.21  -0.17   0.51    -0.11  -0.44   0.11    -0.02   0.13  -0.13
    28   1    -0.32  -0.06  -0.22    -0.25   0.13   0.59     0.13  -0.02  -0.10
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1507.1191              1519.3962              1526.8140
 Red. masses --      1.0710                 1.0643                 1.0831
 Frc consts  --      1.4333                 1.4476                 1.4876
 IR Inten    --     10.2064                 7.2456                 6.8999
 RamAct Fr= 1--      2.3618                 1.9871                 3.6806
  Dep-P Fr= 1--      0.6729                 0.7167                 0.3898
  Dep-U Fr= 1--      0.8045                 0.8350                 0.5610
 Alpha2 Fr= 1--      0.0032                 0.0011                 0.0283
 Beta2  Fr= 1--      0.3167                 0.2765                 0.3441
 AlphaG Fr= 1--     -0.0089                -0.0086                -0.0006
 Gamma2 Fr= 1--     -2.8664                -1.6343                 1.9053
 Delta2 Fr= 1--     -0.6965                -0.6830                 0.8503
 Raman1 Fr= 1--       9.447                  7.948                 14.722
 ROA1   Fr= 1--    -297.464               -178.746                210.120
 CID1   Fr= 1--     -31.487                -22.488                 14.272
 Raman2 Fr= 1--       3.800                  3.318                  4.130
 ROA2   Fr= 1--     -63.222                -33.758                 38.926
 CID2   Fr= 1--     -16.637                -10.173                  9.426
 Raman3 Fr= 1--       7.600                  6.637                  8.259
 ROA3   Fr= 1--    -297.464               -178.746                210.120
 CID3   Fr= 1--     -39.139                -26.933                 25.441
 RC180  Fr= 1--       0.609                  0.670                  0.122
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.00     0.01   0.00  -0.00    -0.03   0.02   0.00
     2   6     0.01   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
     3   6    -0.00  -0.05  -0.00     0.01   0.03   0.00    -0.00   0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.01
     5   6    -0.02  -0.02  -0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.00
     6   6    -0.00   0.00   0.00     0.00   0.01  -0.00     0.00  -0.01  -0.00
     7   6    -0.00  -0.00  -0.02     0.01   0.00   0.04    -0.02  -0.01  -0.05
     8   1    -0.22   0.05  -0.16    -0.06   0.02  -0.04     0.23  -0.05   0.16
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1    -0.02  -0.02   0.00    -0.04  -0.00   0.01     0.01  -0.01  -0.01
    11   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.01     0.01   0.00  -0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.01
    13   6    -0.01  -0.03  -0.01    -0.01  -0.01   0.02     0.00  -0.01  -0.01
    14   1     0.02   0.00  -0.01    -0.00   0.01   0.01     0.01  -0.01   0.00
    15   1     0.11  -0.02   0.10    -0.23   0.05  -0.23     0.33  -0.05   0.31
    16   1    -0.05   0.06   0.12     0.12  -0.13  -0.27    -0.16   0.20   0.37
    17   1     0.06   0.17  -0.10     0.20   0.40  -0.12     0.05   0.19  -0.12
    18   1    -0.04   0.02   0.14    -0.18   0.20   0.19    -0.04   0.03   0.09
    19   1     0.17  -0.04  -0.09     0.18  -0.13  -0.22     0.16  -0.06  -0.12
    20   1    -0.06   0.37  -0.12     0.24   0.18  -0.06    -0.10   0.15  -0.05
    21   1     0.13   0.24   0.33    -0.13   0.02   0.08     0.06   0.12   0.16
    22   1     0.13  -0.20   0.01     0.04  -0.01  -0.30     0.04  -0.08   0.07
    23   1    -0.17   0.14   0.18    -0.05   0.03   0.05     0.17  -0.15  -0.19
    24   1     0.16   0.25   0.23    -0.11  -0.18  -0.16    -0.11  -0.21  -0.20
    25   1    -0.06   0.33  -0.18     0.04  -0.23   0.13     0.07  -0.28   0.15
    26   1    -0.01  -0.01   0.01    -0.02   0.01   0.01     0.04   0.04  -0.01
    27   1    -0.01   0.02  -0.02    -0.02   0.01  -0.03     0.01  -0.04   0.05
    28   1     0.01  -0.01  -0.03     0.02  -0.00  -0.00    -0.04   0.01   0.06
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3019.8670              3021.3210              3023.7470
 Red. masses --      1.0377                 1.0427                 1.0744
 Frc consts  --      5.5759                 5.6082                 5.7875
 IR Inten    --     22.2771                12.9046                 9.5695
 RamAct Fr= 1--    151.3968                 2.9778                60.8816
  Dep-P Fr= 1--      0.0186                 0.7459                 0.5632
  Dep-U Fr= 1--      0.0364                 0.8544                 0.7206
 Alpha2 Fr= 1--      3.2214                 0.0002                 0.2156
 Beta2  Fr= 1--      0.9192                 0.4241                 7.3116
 AlphaG Fr= 1--      0.0867                -0.0034                -0.2314
 Gamma2 Fr= 1--     -1.2949                 3.9382               -14.4761
 Delta2 Fr= 1--     -0.4245                 2.2108               -12.4520
 Raman1 Fr= 1--     605.587                 11.911                243.526
 ROA1   Fr= 1--    -137.889                448.810              -1788.170
 CID1   Fr= 1--      -0.228                 37.680                 -7.343
 Raman2 Fr= 1--      11.030                  5.089                 87.740
 ROA2   Fr= 1--     -27.681                 76.830               -247.811
 CID2   Fr= 1--      -2.510                 15.098                 -2.824
 Raman3 Fr= 1--      22.060                 10.177                175.479
 ROA3   Fr= 1--    -137.889                448.810              -1788.170
 CID3   Fr= 1--      -6.251                 44.098                -10.190
 RC180  Fr= 1--      -0.927                  0.709                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00   0.00   0.01     0.01   0.00   0.02
     2   6     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.01   0.01  -0.06
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.03   0.03   0.07     0.02  -0.02  -0.04     0.03  -0.03  -0.04
     9   6    -0.04  -0.02  -0.02    -0.01  -0.00   0.00    -0.01  -0.01   0.01
    10   1    -0.04   0.02  -0.19     0.05  -0.03   0.26     0.14  -0.10   0.79
    11   1     0.01   0.01  -0.00    -0.01  -0.01   0.01     0.05   0.03  -0.03
    12   6    -0.00  -0.00  -0.00     0.02  -0.00   0.03    -0.01   0.00   0.00
    13   6     0.00  -0.00   0.00    -0.03   0.01  -0.01     0.02  -0.01   0.00
    14   1     0.00  -0.12   0.00    -0.00   0.05  -0.00    -0.00   0.13  -0.00
    15   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.01
    16   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.02  -0.01   0.01
    17   1    -0.02   0.01   0.01     0.18  -0.11  -0.07     0.03  -0.02  -0.01
    18   1     0.04   0.03   0.00    -0.36  -0.26  -0.04     0.03   0.02   0.00
    19   1     0.01  -0.04   0.02    -0.06   0.37  -0.24     0.00  -0.01   0.01
    20   1     0.00   0.00   0.01    -0.02  -0.06  -0.23     0.01   0.04   0.14
    21   1    -0.00   0.01  -0.01     0.05  -0.36   0.25    -0.03   0.21  -0.15
    22   1    -0.01  -0.01  -0.00     0.35   0.27   0.05    -0.22  -0.16  -0.03
    23   1    -0.03   0.00  -0.04    -0.04   0.00  -0.05    -0.18   0.02  -0.20
    24   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.05  -0.12   0.11
    25   1    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.01  -0.01  -0.02
    26   1     0.10  -0.03   0.63     0.01  -0.00   0.04    -0.00  -0.00  -0.01
    27   1     0.41  -0.20  -0.26     0.08  -0.04  -0.05     0.14  -0.07  -0.08
    28   1    -0.06   0.48  -0.14    -0.01   0.09  -0.02    -0.02   0.15  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3026.9132              3027.8711              3038.4451
 Red. masses --      1.0530                 1.0566                 1.0767
 Frc consts  --      5.6843                 5.7074                 5.8566
 IR Inten    --     26.0919                45.8577                82.6128
 RamAct Fr= 1--    126.9939               192.5013                44.1741
  Dep-P Fr= 1--      0.1456                 0.1216                 0.4059
  Dep-U Fr= 1--      0.2542                 0.2169                 0.5774
 Alpha2 Fr= 1--      1.9851                 3.1953                 0.3203
 Beta2  Fr= 1--      5.3809                 6.9592                 4.2514
 AlphaG Fr= 1--      0.3912                -0.2088                 0.3577
 Gamma2 Fr= 1--     19.0635                -0.2713                 4.5755
 Delta2 Fr= 1--      6.7500                 6.2433                 4.7862
 Raman1 Fr= 1--     507.976                770.005                176.696
 ROA1   Fr= 1--    2046.096                173.743                592.409
 CID1   Fr= 1--       4.028                  0.226                  3.353
 Raman2 Fr= 1--      64.571                 83.510                 51.016
 ROA2   Fr= 1--     403.523                -56.458                 71.524
 CID2   Fr= 1--       6.249                 -0.676                  1.402
 Raman3 Fr= 1--     129.142                167.021                102.033
 ROA3   Fr= 1--    2046.096                173.743                592.409
 CID3   Fr= 1--      15.844                  1.040                  5.806
 RC180  Fr= 1--      -0.492                 -0.566                  0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.02  -0.01  -0.00     0.03  -0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.02
     3   6     0.00  -0.04   0.01    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
     4   6     0.01   0.01  -0.01    -0.02  -0.01   0.01     0.01   0.01  -0.01
     5   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.01  -0.00    -0.00   0.02   0.00     0.00  -0.06   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.08  -0.09  -0.17    -0.08   0.09   0.16    -0.12   0.13   0.25
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    10   1     0.00  -0.00   0.01    -0.05   0.03  -0.26    -0.04   0.03  -0.22
    11   1    -0.11  -0.08   0.07     0.19   0.13  -0.12    -0.09  -0.07   0.06
    12   6     0.01   0.00   0.02     0.02  -0.00   0.02     0.00   0.00   0.01
    13   6     0.02  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.00   0.00
    14   1     0.01  -0.13   0.00     0.01  -0.20   0.00    -0.03   0.76   0.00
    15   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.04  -0.03  -0.04
    16   1    -0.04   0.01  -0.02     0.01  -0.00   0.01    -0.02   0.01  -0.01
    17   1     0.13  -0.08  -0.06     0.12  -0.08  -0.05     0.03  -0.02  -0.01
    18   1    -0.24  -0.18  -0.03    -0.32  -0.23  -0.03    -0.07  -0.05  -0.01
    19   1    -0.04   0.25  -0.16    -0.05   0.32  -0.21    -0.01   0.06  -0.04
    20   1     0.01   0.05   0.17     0.01   0.04   0.14     0.00   0.01   0.05
    21   1    -0.04   0.26  -0.18    -0.03   0.20  -0.14    -0.01   0.06  -0.04
    22   1    -0.24  -0.18  -0.03    -0.20  -0.15  -0.03    -0.07  -0.05  -0.01
    23   1     0.19  -0.02   0.22    -0.12   0.01  -0.14    -0.25   0.02  -0.29
    24   1    -0.14   0.37  -0.37     0.12  -0.31   0.31    -0.04   0.11  -0.11
    25   1     0.13   0.13   0.24    -0.10  -0.10  -0.19     0.08   0.09   0.16
    26   1     0.01  -0.00   0.04    -0.00   0.00  -0.02     0.01  -0.00   0.07
    27   1     0.02  -0.01  -0.01    -0.06   0.03   0.04     0.02  -0.00  -0.01
    28   1    -0.01   0.05  -0.01     0.01  -0.08   0.02     0.01  -0.06   0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3039.7185              3050.1306              3055.0251
 Red. masses --      1.0732                 1.0805                 1.0976
 Frc consts  --      5.8424                 5.9226                 6.0356
 IR Inten    --     34.6523                70.2164                17.8729
 RamAct Fr= 1--    196.9788               217.1526               113.0380
  Dep-P Fr= 1--      0.0928                 0.1263                 0.2211
  Dep-U Fr= 1--      0.1698                 0.2242                 0.3621
 Alpha2 Fr= 1--      3.5102                 3.5634                 1.4507
 Beta2  Fr= 1--      5.5742                 8.1145                 6.8220
 AlphaG Fr= 1--      0.0569                -0.7978                 0.0854
 Gamma2 Fr= 1--     -6.8459               -18.1302                -4.0172
 Delta2 Fr= 1--      3.2085                -8.6544                -6.8274
 Raman1 Fr= 1--     787.915                868.610                452.152
 ROA1   Fr= 1--    -554.538              -2017.441               -604.127
 CID1   Fr= 1--      -0.704                 -2.323                 -1.336
 Raman2 Fr= 1--      66.890                 97.374                 81.865
 ROA2   Fr= 1--    -189.970               -365.890                -41.793
 CID2   Fr= 1--      -2.840                 -3.758                 -0.511
 Raman3 Fr= 1--     133.780                194.749                163.729
 ROA3   Fr= 1--    -554.538              -2017.441               -604.127
 CID3   Fr= 1--      -4.145                -10.359                 -3.690
 RC180  Fr= 1--      -0.660                 -0.552                 -0.276
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.02     0.01   0.00   0.02     0.01  -0.02  -0.04
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   6     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.03  -0.01   0.06
     4   6    -0.02  -0.01   0.01    -0.05  -0.03   0.03    -0.01  -0.01   0.01
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
     8   1     0.10  -0.12  -0.23     0.04  -0.05  -0.08    -0.24   0.26   0.47
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
    10   1    -0.00   0.00  -0.02    -0.01   0.01  -0.05     0.03  -0.02   0.15
    11   1     0.26   0.18  -0.17     0.60   0.40  -0.38     0.15   0.10  -0.10
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.54   0.00    -0.00  -0.05   0.00     0.00  -0.06  -0.00
    15   1     0.04  -0.03  -0.03    -0.08   0.06   0.08    -0.03   0.02   0.03
    16   1    -0.11   0.03  -0.06     0.16  -0.05   0.08     0.04  -0.01   0.02
    17   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.03   0.02   0.01
    18   1    -0.03  -0.02  -0.00     0.04   0.03   0.00     0.02   0.01   0.00
    19   1    -0.01   0.04  -0.03     0.01  -0.05   0.04    -0.00   0.03  -0.02
    20   1     0.00   0.01   0.02    -0.00  -0.01  -0.03     0.00  -0.00  -0.01
    21   1    -0.00   0.01  -0.00     0.01  -0.05   0.03     0.00  -0.02   0.02
    22   1    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.01  -0.00
    23   1     0.39  -0.04   0.44    -0.13   0.01  -0.14     0.06  -0.01   0.06
    24   1     0.04  -0.10   0.11    -0.06   0.15  -0.15    -0.13   0.37  -0.34
    25   1    -0.12  -0.13  -0.23     0.17   0.19   0.32    -0.22  -0.25  -0.41
    26   1     0.01  -0.00   0.08    -0.00  -0.00  -0.00    -0.02   0.00  -0.09
    27   1     0.05  -0.02  -0.03    -0.01   0.00   0.00     0.03  -0.02  -0.02
    28   1    -0.00   0.05  -0.01     0.00  -0.02   0.01    -0.01   0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3070.0185              3070.9889              3075.4809
 Red. masses --      1.1009                 1.0745                 1.0966
 Frc consts  --      6.1135                 5.9703                 6.1112
 IR Inten    --      0.3110                 6.0774                33.4201
 RamAct Fr= 1--     17.3632               261.5980                83.7024
  Dep-P Fr= 1--      0.5299                 0.0283                 0.3700
  Dep-U Fr= 1--      0.6927                 0.0550                 0.5401
 Alpha2 Fr= 1--      0.0740                 5.4403                 0.6880
 Beta2  Fr= 1--      2.0046                 2.3977                 7.5349
 AlphaG Fr= 1--     -0.1452                -0.6808                 0.2327
 Gamma2 Fr= 1--      5.2820                14.2082               -52.8123
 Delta2 Fr= 1--      0.9605                 7.2634               -32.6185
 Raman1 Fr= 1--      69.453               1046.392                334.810
 ROA1   Fr= 1--     537.810               1596.413              -6113.777
 CID1   Fr= 1--       7.744                  1.526                -18.260
 Raman2 Fr= 1--      24.055                 28.772                 90.418
 ROA2   Fr= 1--     119.085                282.889              -1006.548
 CID2   Fr= 1--       4.950                  9.832                -11.132
 Raman3 Fr= 1--      48.111                 57.545                180.837
 ROA3   Fr= 1--     537.810               1596.413              -6113.777
 CID3   Fr= 1--      11.179                 27.742                -33.808
 RC180  Fr= 1--       0.385                 -0.890                  0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01    -0.01   0.01   0.03     0.01   0.01   0.05
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.01   0.02     0.02  -0.00   0.04
     4   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.04   0.00  -0.05     0.02  -0.00   0.02
     8   1     0.04  -0.04  -0.07     0.13  -0.14  -0.25     0.18  -0.19  -0.34
     9   6     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01   0.01  -0.04
    10   1    -0.00   0.00  -0.03    -0.01   0.01  -0.08     0.00   0.00  -0.00
    11   1    -0.03  -0.02   0.02    -0.11  -0.07   0.07     0.05   0.04  -0.03
    12   6    -0.03  -0.06   0.02     0.01   0.01  -0.00     0.00  -0.00  -0.00
    13   6     0.02   0.05  -0.01     0.00  -0.01   0.01    -0.01  -0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00   0.11  -0.00     0.00  -0.05   0.00
    15   1    -0.02   0.01   0.02    -0.20   0.16   0.19     0.11  -0.09  -0.11
    16   1     0.07  -0.02   0.03     0.67  -0.21   0.34    -0.31   0.10  -0.16
    17   1    -0.01  -0.02   0.01    -0.02   0.02   0.01    -0.03   0.02   0.01
    18   1     0.46   0.32   0.06    -0.08  -0.06  -0.01     0.01   0.01   0.00
    19   1    -0.09   0.47  -0.32     0.01  -0.03   0.02    -0.00   0.01  -0.01
    20   1     0.01   0.01  -0.01    -0.00  -0.02  -0.04     0.00   0.01   0.05
    21   1     0.06  -0.32   0.22    -0.02   0.09  -0.06    -0.01   0.06  -0.04
    22   1    -0.32  -0.24  -0.05     0.00   0.00   0.00     0.10   0.08   0.01
    23   1    -0.03   0.00  -0.04    -0.07   0.01  -0.06    -0.28   0.03  -0.30
    24   1    -0.00   0.01  -0.01    -0.02   0.06  -0.06    -0.07   0.19  -0.18
    25   1    -0.01  -0.02  -0.03    -0.12  -0.14  -0.23    -0.16  -0.19  -0.30
    26   1     0.01  -0.00   0.05     0.01  -0.00   0.05     0.06  -0.02   0.35
    27   1    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.16   0.08   0.09
    28   1     0.00  -0.03   0.01     0.00  -0.01   0.00     0.03  -0.23   0.05
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3076.7280              3081.3466              3086.0948
 Red. masses --      1.1004                 1.1001                 1.1006
 Frc consts  --      6.1372                 6.1541                 6.1758
 IR Inten    --     61.9016                66.6751                55.1578
 RamAct Fr= 1--    152.2382                78.9715                69.2319
  Dep-P Fr= 1--      0.7500                 0.6632                 0.7206
  Dep-U Fr= 1--      0.8571                 0.7975                 0.8376
 Alpha2 Fr= 1--      0.0001                 0.1221                 0.0351
 Beta2  Fr= 1--     21.7480                10.4967                 9.6646
 AlphaG Fr= 1--      0.0021                 0.0784                -0.0681
 Gamma2 Fr= 1--     -6.4035                47.9255                -0.0373
 Delta2 Fr= 1--     -3.0696                29.8238                 3.0038
 Raman1 Fr= 1--     608.953                315.886                276.928
 ROA1   Fr= 1--    -712.967               5555.213                 92.545
 CID1   Fr= 1--      -1.171                 17.586                  0.334
 Raman2 Fr= 1--     260.976                125.960                115.975
 ROA2   Fr= 1--    -129.128                911.622                -24.925
 CID2   Fr= 1--      -0.495                  7.237                 -0.215
 Raman3 Fr= 1--     521.951                251.920                231.950
 ROA3   Fr= 1--    -712.967               5555.213                 92.545
 CID3   Fr= 1--      -1.366                 22.051                  0.399
 RC180  Fr= 1--       0.714                  0.595                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.00   0.01   0.03     0.00   0.01   0.02
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     8   1    -0.03   0.03   0.05     0.09  -0.10  -0.18     0.07  -0.08  -0.13
     9   6    -0.00   0.00   0.00    -0.04   0.03   0.07     0.03  -0.07   0.03
    10   1     0.00  -0.00  -0.00    -0.03   0.02  -0.19    -0.03   0.02  -0.15
    11   1     0.02   0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.01
    12   6    -0.02  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.06   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.03   0.00     0.00  -0.02   0.00    -0.00   0.05   0.00
    15   1    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.05  -0.04  -0.05
    16   1     0.04  -0.01   0.02    -0.11   0.03  -0.05    -0.07   0.02  -0.04
    17   1     0.00  -0.01   0.00    -0.03   0.02   0.01    -0.03   0.02   0.01
    18   1     0.33   0.23   0.05    -0.00  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.06   0.33  -0.23    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    20   1    -0.01  -0.02  -0.00     0.00   0.01   0.04     0.00   0.01   0.04
    21   1    -0.09   0.46  -0.32     0.00  -0.01   0.01    -0.00   0.00  -0.00
    22   1     0.45   0.33   0.07     0.01   0.01   0.00     0.02   0.02   0.00
    23   1     0.04  -0.00   0.04    -0.12   0.02  -0.12    -0.12   0.02  -0.14
    24   1     0.01  -0.03   0.03    -0.02   0.06  -0.05    -0.02   0.05  -0.04
    25   1     0.03   0.03   0.05    -0.05  -0.06  -0.10    -0.04  -0.05  -0.08
    26   1    -0.01   0.00  -0.03    -0.11   0.03  -0.52    -0.06   0.00  -0.37
    27   1     0.03  -0.01  -0.02     0.58  -0.27  -0.34    -0.26   0.11   0.17
    28   1    -0.00   0.00   0.00     0.01  -0.12   0.05    -0.08   0.75  -0.20
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3105.7597              3120.3603              3128.1721
 Red. masses --      1.0993                 1.0943                 1.0984
 Frc consts  --      6.2472                 6.2775                 6.3330
 IR Inten    --     33.7823                26.6740                41.6252
 RamAct Fr= 1--     21.3261                52.0520               113.6425
  Dep-P Fr= 1--      0.7271                 0.4613                 0.4161
  Dep-U Fr= 1--      0.8420                 0.6313                 0.5877
 Alpha2 Fr= 1--      0.0084                 0.3047                 0.7938
 Beta2  Fr= 1--      2.9927                 5.4771                11.1314
 AlphaG Fr= 1--     -0.0213                -0.0409                 0.2009
 Gamma2 Fr= 1--     -3.4940                 2.3397                 3.1416
 Delta2 Fr= 1--     -2.0706                 0.8780                 1.6622
 Raman1 Fr= 1--      85.304                208.208                454.570
 ROA1   Fr= 1--    -401.679                252.710                354.789
 CID1   Fr= 1--      -4.709                  1.214                  0.780
 Raman2 Fr= 1--      35.912                 65.726                133.577
 ROA2   Fr= 1--     -67.290                 49.129                 62.102
 CID2   Fr= 1--      -1.874                  0.747                  0.465
 Raman3 Fr= 1--      71.824                131.451                267.154
 ROA3   Fr= 1--    -401.679                252.710                354.789
 CID3   Fr= 1--      -5.593                  1.922                  1.328
 RC180  Fr= 1--       0.684                  0.263                  0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.07  -0.04  -0.03
     8   1    -0.01   0.01   0.02     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.02    -0.01   0.01  -0.06    -0.00   0.00  -0.01
    11   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00    -0.04  -0.02   0.02
    12   6     0.00  -0.00  -0.00    -0.07   0.04   0.02     0.00  -0.00  -0.00
    13   6    -0.02  -0.02  -0.08    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
    14   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.05  -0.00
    15   1     0.17  -0.14  -0.19    -0.02   0.01   0.02    -0.51   0.42   0.55
    16   1     0.19  -0.06   0.11     0.00  -0.00   0.00    -0.28   0.08  -0.16
    17   1    -0.03   0.02   0.01     0.74  -0.47  -0.35    -0.03   0.02   0.01
    18   1    -0.00   0.00   0.00     0.15   0.13   0.02    -0.01  -0.01  -0.00
    19   1    -0.00   0.00  -0.00     0.01  -0.17   0.12    -0.00   0.01  -0.00
    20   1     0.05   0.24   0.83     0.00   0.01   0.04     0.02   0.10   0.33
    21   1     0.03  -0.20   0.12     0.00  -0.01   0.01     0.01  -0.06   0.04
    22   1     0.19   0.14   0.01     0.01   0.01  -0.00     0.06   0.04   0.00
    23   1     0.03  -0.00   0.03    -0.02   0.00  -0.02    -0.02   0.00  -0.02
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1     0.01   0.01   0.02    -0.03  -0.04  -0.06    -0.00  -0.00  -0.01
    26   1     0.01  -0.00   0.03    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    27   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.02   0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Molecular mass:   138.14085 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   918.032861552.462781670.45487
           X            0.99998  -0.00141   0.00537
           Y            0.00121   0.99931   0.03704
           Z           -0.00542  -0.03704   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09435     0.05579     0.05185
 Rotational constants (GHZ):           1.96588     1.16250     1.08039
 Zero-point vibrational energy     682224.1 (Joules/Mol)
                                  163.05547 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    182.69   253.70   289.52   307.98   331.33
          (Kelvin)            374.95   435.24   448.89   553.07   561.14
                              619.30   650.31   693.58   757.21   832.43
                              960.93  1132.28  1137.04  1195.74  1241.56
                             1277.97  1304.38  1340.14  1369.73  1390.32
                             1394.39  1455.01  1459.30  1478.13  1520.94
                             1547.79  1587.22  1598.09  1621.15  1698.02
                             1717.20  1766.47  1774.27  1784.40  1802.26
                             1825.09  1871.85  1903.75  1917.40  1943.48
                             1955.99  1980.31  2002.21  2020.34  2030.96
                             2046.58  2138.40  2140.71  2149.53  2156.29
                             2156.79  2165.92  2168.41  2186.07  2196.74
                             4344.92  4347.01  4350.50  4355.05  4356.43
                             4371.64  4373.48  4388.46  4395.50  4417.07
                             4418.47  4424.93  4426.73  4433.37  4440.20
                             4468.50  4489.50  4500.74
 
 Zero-point correction=                           0.259845 (Hartree/Particle)
 Thermal correction to Energy=                    0.269843
 Thermal correction to Enthalpy=                  0.270787
 Thermal correction to Gibbs Free Energy=         0.226038
 Sum of electronic and zero-point Energies=           -391.815244
 Sum of electronic and thermal Energies=              -391.805246
 Sum of electronic and thermal Enthalpies=            -391.804302
 Sum of electronic and thermal Free Energies=         -391.849052
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  169.329             41.382             94.184
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.681
 Rotational               0.889              2.981             29.255
 Vibrational            167.552             35.421             24.247
 Vibration     1          0.611              1.926              2.991
 Vibration     2          0.628              1.872              2.367
 Vibration     3          0.638              1.838              2.122
 Vibration     4          0.644              1.820              2.009
 Vibration     5          0.652              1.795              1.877
 Vibration     6          0.669              1.745              1.658
 Vibration     7          0.694              1.669              1.403
 Vibration     8          0.700              1.651              1.352
 Vibration     9          0.753              1.503              1.022
 Vibration    10          0.758              1.492              1.000
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.811              1.356              0.790
 Vibration    13          0.838              1.290              0.705
 Vibration    14          0.881              1.192              0.596
 Vibration    15          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.107151-103       -103.970005       -239.399784
 Total V=0       0.355214D+16         15.550490         35.806327
 Vib (Bot)       0.303987-117       -117.517145       -270.593226
 Vib (Bot)    1  0.160671D+01          0.205937          0.474187
 Vib (Bot)    2  0.114048D+01          0.057086          0.131445
 Vib (Bot)    3  0.990419D+00         -0.004181         -0.009627
 Vib (Bot)    4  0.926360D+00         -0.033220         -0.076492
 Vib (Bot)    5  0.855174D+00         -0.067946         -0.156451
 Vib (Bot)    6  0.745084D+00         -0.127795         -0.294258
 Vib (Bot)    7  0.627775D+00         -0.202196         -0.465573
 Vib (Bot)    8  0.605379D+00         -0.217972         -0.501900
 Vib (Bot)    9  0.468905D+00         -0.328916         -0.757356
 Vib (Bot)   10  0.460319D+00         -0.336941         -0.775835
 Vib (Bot)   11  0.404655D+00         -0.392915         -0.904721
 Vib (Bot)   12  0.378791D+00         -0.421601         -0.970772
 Vib (Bot)   13  0.346328D+00         -0.460513         -1.060370
 Vib (Bot)   14  0.304933D+00         -0.515795         -1.187662
 Vib (Bot)   15  0.263753D+00         -0.578802         -1.332742
 Vib (V=0)       0.100774D+03          2.003351          4.612885
 Vib (V=0)    1  0.218271D+01          0.338996          0.780567
 Vib (V=0)    2  0.174526D+01          0.241861          0.556906
 Vib (V=0)    3  0.160947D+01          0.206684          0.475907
 Vib (V=0)    4  0.155268D+01          0.191083          0.439985
 Vib (V=0)    5  0.149062D+01          0.173366          0.399190
 Vib (V=0)    6  0.139730D+01          0.145290          0.334543
 Vib (V=0)    7  0.130256D+01          0.114798          0.264331
 Vib (V=0)    8  0.128517D+01          0.108959          0.250887
 Vib (V=0)    9  0.118547D+01          0.073891          0.170141
 Vib (V=0)   10  0.117963D+01          0.071745          0.165199
 Vib (V=0)   11  0.114323D+01          0.058134          0.133858
 Vib (V=0)   12  0.112728D+01          0.052032          0.119809
 Vib (V=0)   13  0.110823D+01          0.044630          0.102764
 Vib (V=0)   14  0.108565D+01          0.035689          0.082178
 Vib (V=0)   15  0.106530D+01          0.027473          0.063258
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.638171D+08          7.804937         17.971532
 Rotational      0.552335D+06          5.742203         13.221910
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004039   -0.000026074    0.000013452
      2        6           0.000007966    0.000026585    0.000003598
      3        6           0.000036680    0.000008815    0.000021338
      4        6          -0.000078438    0.000028946   -0.000026848
      5        6           0.000068266   -0.000050693    0.000042459
      6        6           0.000000817   -0.000040430   -0.000004492
      7        6           0.000012142    0.000029831   -0.000009440
      8        1          -0.000000875    0.000000881    0.000001624
      9        6           0.000004673   -0.000001232   -0.000005313
     10        1          -0.000001833   -0.000010544   -0.000009475
     11        1          -0.000000232    0.000008767   -0.000002480
     12        6          -0.000001884   -0.000002111    0.000014370
     13        6          -0.000007366    0.000014509   -0.000005854
     14        1          -0.000002414   -0.000000985    0.000000003
     15        1           0.000007783   -0.000010205    0.000009792
     16        1          -0.000009209    0.000005097    0.000007028
     17        1          -0.000017976    0.000015316   -0.000026458
     18        1           0.000002135   -0.000001949   -0.000001129
     19        1           0.000003516    0.000000350    0.000000649
     20        1          -0.000006504    0.000004120   -0.000003570
     21        1           0.000001640   -0.000003894   -0.000003631
     22        1          -0.000000243   -0.000000651   -0.000001177
     23        1           0.000001415   -0.000006355   -0.000003842
     24        1           0.000001036    0.000001866    0.000002421
     25        1          -0.000015813    0.000004784   -0.000012507
     26        1           0.000001004    0.000004222   -0.000001000
     27        1          -0.000001523    0.000002167    0.000000111
     28        1          -0.000000723   -0.000001132    0.000000372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000078438 RMS     0.000017681
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.130646D+03 -0.611004D-01  0.654658D+00
      2  -0.611004D-01  0.116445D+03 -0.138997D-01
      3   0.654658D+00 -0.138997D-01  0.112116D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.269618D+01  0.122088D+01  0.300592D+01
      2   0.307791D+01 -0.911312D+00  0.664379D+01
      3   0.414640D+01  0.299224D+01 -0.177088D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.503545D+01 -0.219604D+02  0.111876D+02
      2  -0.710957D+01  0.104710D+02 -0.429192D+01
      3   0.121450D+02  0.114894D+02 -0.689564D+01
      4  -0.308510D+02 -0.105624D+02  0.295621D+01
      5   0.188584D+02  0.191087D+01  0.177438D+02
      6   0.843340D+00  0.436745D+01 -0.456511D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144197D+01 -0.268033D+01  0.103445D+01 -0.317911D+01  0.319740D+00
      2  -0.268033D+01 -0.329918D+00  0.118197D+01  0.319740D+00  0.269030D+01
      3   0.103445D+01  0.118197D+01  0.290973D+01  0.167299D+01 -0.127011D+01
                 6             7             8             9            10 
      1   0.167299D+01  0.620666D+00  0.202989D+01  0.435817D+01 -0.439107D+00
      2  -0.127011D+01  0.202989D+01 -0.206732D+01 -0.222077D+01  0.335047D+01
      3  -0.162886D+01  0.435817D+01 -0.222077D+01 -0.402738D+00  0.131323D+01
                11            12            13            14            15 
      1   0.335047D+01  0.131323D+01  0.427196D+01  0.534035D+00  0.241353D+00
      2   0.129107D+01 -0.186585D+00  0.534035D+00 -0.495020D+01  0.447863D+00
      3  -0.186585D+00 -0.200215D+01  0.241353D+00  0.447863D+00  0.114606D+01
                16            17            18            19            20 
      1   0.206966D+01 -0.610062D-01 -0.240786D+01  0.721348D+00  0.137101D+01
      2  -0.610062D-01  0.143442D+01  0.123428D+01  0.137101D+01  0.634790D+00
      3  -0.240786D+01  0.123428D+01 -0.626774D+01 -0.722813D+00 -0.315810D+01
                21            22            23            24            25 
      1  -0.722813D+00  0.193683D+01  0.602102D+00 -0.312168D+01 -0.604400D+00
      2  -0.315810D+01  0.602102D+00 -0.409116D+01  0.145477D+01 -0.370741D+01
      3  -0.661443D+00 -0.312168D+01  0.145477D+01 -0.256477D+01 -0.773056D+00
                26            27            28            29            30 
      1  -0.370741D+01 -0.773056D+00 -0.306185D+01 -0.241368D+01  0.866145D+00
      2   0.194144D+01 -0.409747D+01 -0.241368D+01 -0.228824D+01  0.445918D+01
      3  -0.409747D+01 -0.384585D+00  0.866145D+00  0.445918D+01 -0.147119D+01
                31            32            33            34            35 
      1  -0.269747D+01 -0.199526D+01  0.458627D+01  0.997034D+00  0.521805D+01
      2  -0.199526D+01  0.134302D+01  0.760019D+00  0.521805D+01 -0.683634D+00
      3   0.458627D+01  0.760019D+00  0.267551D+01 -0.172180D+01  0.206439D+01
                36            37            38            39            40 
      1  -0.172180D+01  0.528072D+01  0.470261D+01  0.300626D+01  0.557029D+01
      2   0.206439D+01  0.470261D+01  0.178922D+01 -0.164721D+01  0.262566D+01
      3  -0.810061D+00  0.300626D+01 -0.164721D+01  0.736340D+00 -0.227791D+01
                41            42            43            44            45 
      1   0.262566D+01 -0.227791D+01  0.442973D+01 -0.198760D+01  0.287774D+00
      2  -0.327481D+01  0.289545D+01 -0.198760D+01  0.450766D+01 -0.266545D+01
      3   0.289545D+01 -0.240731D+01  0.287774D+00 -0.266545D+01 -0.185888D+01
                46            47            48            49            50 
      1  -0.394138D+01 -0.308548D+01 -0.257966D+01 -0.361393D+01 -0.140964D+00
      2  -0.308548D+01 -0.382505D+00 -0.195394D+00 -0.140964D+00  0.895764D+01
      3  -0.257966D+01 -0.195394D+00 -0.142586D+01 -0.180915D+00 -0.979447D+00
                51            52            53            54            55 
      1  -0.180915D+00 -0.543990D+01 -0.547010D+00 -0.199288D+00  0.171724D+01
      2  -0.979447D+00 -0.547010D+00 -0.755249D+00 -0.176059D+01 -0.224980D+00
      3  -0.251700D+01 -0.199288D+00 -0.176059D+01  0.356624D+01  0.357552D+01
                56            57            58            59            60 
      1  -0.224980D+00  0.357552D+01 -0.481474D+00 -0.178976D+01 -0.322233D+01
      2  -0.168181D+01 -0.340215D+01 -0.178976D+01 -0.136025D+01 -0.146786D+01
      3  -0.340215D+01  0.788912D+00 -0.322233D+01 -0.146786D+01  0.244060D+01
                61            62            63            64            65 
      1   0.289796D+01 -0.250208D+01  0.672681D+00 -0.297931D+01  0.172007D+01
      2  -0.250208D+01 -0.129460D+01  0.200639D+01  0.172007D+01 -0.133809D+01
      3   0.672681D+00  0.200639D+01 -0.501268D-01  0.170008D+01 -0.103548D+01
                66            67            68            69            70 
      1   0.170008D+01  0.183266D+01 -0.164689D+01 -0.120244D+01  0.316671D+01
      2  -0.103548D+01 -0.164689D+01  0.237408D+01  0.186784D+01 -0.181690D+01
      3  -0.188236D+01 -0.120244D+01  0.186784D+01  0.169669D+01 -0.309178D+01
                71            72            73            74            75 
      1  -0.181690D+01 -0.309178D+01  0.234321D+01 -0.365727D+01 -0.276370D+01
      2   0.276735D+01  0.240392D+01 -0.365727D+01 -0.165051D+01  0.692474D+00
      3   0.240392D+01  0.418068D+01 -0.276370D+01  0.692474D+00  0.248567D+01
                76            77            78            79            80 
      1  -0.514994D+01 -0.245785D+00  0.530350D+00 -0.337442D+01  0.358735D+00
      2  -0.245785D+00  0.657424D+01 -0.203805D+01  0.358735D+00 -0.220737D+01
      3   0.530350D+00 -0.203805D+01 -0.532429D+00  0.323387D+01 -0.489517D-03
                81            82            83            84            85 
      1   0.323387D+01  0.666904D+00 -0.535550D+00  0.952776D+00 -0.857614D+00
      2  -0.489517D-03 -0.535550D+00 -0.104110D+00 -0.194391D-01 -0.205075D+00
      3   0.494569D+01  0.952776D+00 -0.194391D-01  0.604317D+00  0.926252D-01
                86            87            88            89            90 
      1  -0.205075D+00  0.926252D-01  0.222731D+01  0.324208D+00  0.410541D+00
      2  -0.384322D+00  0.110387D+01  0.324208D+00  0.131228D+01 -0.120684D+01
      3   0.110387D+01 -0.114471D+01  0.410541D+00 -0.120684D+01  0.777699D+01
                91            92            93            94            95 
      1   0.590331D+01  0.306281D+01 -0.249086D+01  0.255421D+01  0.221759D+01
      2   0.306281D+01  0.303219D+01 -0.193341D+01  0.221759D+01  0.352816D+01
      3  -0.249086D+01 -0.193341D+01  0.233588D+01 -0.161731D+01 -0.160011D+01
                96            97            98            99           100 
      1  -0.161731D+01 -0.203286D+01 -0.163645D+01  0.217357D+01 -0.194620D+01
      2  -0.160011D+01 -0.163645D+01 -0.148634D+01  0.157693D+01 -0.470802D+01
      3   0.132350D+01  0.217357D+01  0.157693D+01 -0.252261D+01 -0.321799D+01
               101           102           103           104           105 
      1  -0.470802D+01 -0.321799D+01 -0.522033D+01 -0.187314D+01  0.119175D+01
      2  -0.120425D+01  0.938735D+00 -0.187314D+01  0.121652D+01 -0.410204D+01
      3   0.938735D+00  0.492849D+00  0.119175D+01 -0.410204D+01  0.276623D+01
               106           107           108           109           110 
      1  -0.300151D+01  0.140946D+01  0.392238D+00 -0.295536D+01 -0.437913D+01
      2   0.140946D+01 -0.343622D+01  0.253338D+01 -0.437913D+01 -0.114318D+01
      3   0.392238D+00  0.253338D+01  0.925951D+00 -0.200762D+01  0.122823D+01
               111           112           113           114           115 
      1  -0.200762D+01 -0.535304D+01 -0.274464D+01  0.157252D+01 -0.217350D+01
      2   0.122823D+01 -0.274464D+01  0.348268D+01 -0.263592D+01  0.132597D+01
      3   0.242211D+00  0.157252D+01 -0.263592D+01  0.283868D+01 -0.546064D+00
               116           117           118           119           120 
      1   0.132597D+01 -0.546064D+00  0.988235D-01 -0.103218D+01  0.461328D+00
      2  -0.313352D+01  0.337733D+01 -0.103218D+01  0.562791D+00 -0.119370D+00
      3   0.337733D+01  0.429300D+01  0.461328D+00 -0.119370D+00  0.125248D+00
               121           122           123           124           125 
      1  -0.178378D+01 -0.307127D+00  0.127328D+00  0.817639D+00  0.104775D+00
      2  -0.307127D+00 -0.107646D+02  0.135128D+00  0.104775D+00  0.357353D+00
      3   0.127328D+00  0.135128D+00 -0.999948D+00 -0.981467D-01 -0.111017D+01
               126           127           128           129           130 
      1  -0.981467D-01  0.216221D+01 -0.101566D+01 -0.196763D+01 -0.122086D+01
      2  -0.111017D+01 -0.101566D+01  0.129827D+01  0.124950D+01  0.103389D+01
      3  -0.623836D-01 -0.196763D+01  0.124950D+01  0.285713D+01  0.114417D+01
               131           132           133           134           135 
      1   0.103389D+01  0.114417D+01 -0.181802D+01  0.914443D+00  0.202188D+01
      2  -0.176053D+01 -0.171353D+01  0.914443D+00 -0.160137D+01 -0.220820D+01
      3  -0.171353D+01 -0.285878D+01  0.202188D+01 -0.220820D+01 -0.589890D+01
               136           137           138           139           140 
      1  -0.483290D+01  0.365952D+00 -0.309471D+01  0.935796D+00 -0.657668D+00
      2   0.365952D+00 -0.916774D+00  0.646774D+00 -0.657668D+00  0.681311D+00
      3  -0.309471D+01  0.646774D+00 -0.388318D+01  0.996054D+00 -0.725610D+00
               141           142           143           144           145 
      1   0.996054D+00 -0.232812D+01  0.470185D+00 -0.231106D+01 -0.353568D+01
      2  -0.725610D+00  0.470185D+00 -0.554587D+00  0.150243D+00  0.170595D+01
      3   0.970217D+00 -0.231106D+01  0.150243D+00 -0.406300D+01  0.111977D+01
               146           147           148           149           150 
      1   0.170595D+01  0.111977D+01  0.210146D+01 -0.959703D+00 -0.633340D+00
      2  -0.143721D+01 -0.974255D+00 -0.959703D+00  0.163974D+01  0.142729D+01
      3  -0.974255D+00 -0.266563D+01 -0.633340D+00  0.142729D+01  0.155212D+01
               151           152           153           154           155 
      1   0.140801D+01 -0.726102D+00 -0.126092D+01  0.642783D+01  0.290201D+01
      2  -0.726102D+00  0.130919D+01  0.898758D+00  0.290201D+01  0.236381D+01
      3  -0.126092D+01  0.898758D+00  0.227780D+01  0.267386D+01  0.106462D+01
               156           157           158           159           160 
      1   0.267386D+01  0.368396D+01  0.242434D+01  0.129498D+01  0.848307D+00
      2   0.106462D+01  0.242434D+01  0.245528D+01  0.160861D+01  0.300318D+00
      3   0.244315D+01  0.129498D+01  0.160861D+01  0.131652D+01  0.112199D+01
               161           162           163           164           165 
      1   0.300318D+00  0.112199D+01  0.103941D+01 -0.320047D+00  0.129049D+01
      2   0.627214D+00  0.497187D+00 -0.320047D+00  0.619487D+00 -0.426446D+00
      3   0.497187D+00  0.937345D+00  0.129049D+01 -0.426446D+00  0.808604D+00
               166           167           168           169           170 
      1  -0.127299D+01  0.130644D+01 -0.139617D+01  0.125176D+01 -0.710217D+00
      2   0.130644D+01 -0.401191D+01  0.323605D+01 -0.710217D+00  0.218270D+01
      3  -0.139617D+01  0.323605D+01 -0.468662D+01  0.114538D+01 -0.248555D+01
               171           172           173           174           175 
      1   0.114538D+01  0.173764D+00  0.240840D+00 -0.776632D+00 -0.467712D-01
      2  -0.248555D+01  0.240840D+00  0.662239D-01  0.114862D+00  0.765780D+00
      3   0.457123D+01 -0.776632D+00  0.114862D+00  0.323689D+00  0.300344D+00
               176           177           178           179           180 
      1   0.765780D+00  0.300344D+00 -0.242299D+01  0.876734D+00  0.134000D+01
      2  -0.160184D+01 -0.106057D+01  0.876734D+00 -0.166966D+01 -0.219461D+01
      3  -0.106057D+01 -0.187723D+01  0.134000D+01 -0.219461D+01 -0.633447D+01
               181           182           183           184           185 
      1   0.161908D+01 -0.828130D+00  0.711205D+00 -0.227955D+01  0.305179D+01
      2  -0.828130D+00  0.890974D+00 -0.466211D+00  0.305179D+01 -0.649149D+01
      3   0.711205D+00 -0.466211D+00  0.288309D+00 -0.947201D+00  0.219445D+01
               186           187           188           189           190 
      1  -0.947201D+00  0.223752D+01 -0.163412D+01  0.109084D+01  0.907326D+01
      2   0.219445D+01 -0.163412D+01  0.327578D+01 -0.207092D+01  0.191411D+01
      3  -0.206900D+01  0.109084D+01 -0.207092D+01  0.166985D+01  0.276371D+00
               191           192           193           194           195 
      1   0.191411D+01  0.276371D+00  0.535529D+01  0.202116D+01 -0.128736D+00
      2   0.166395D+01  0.326576D-01  0.202116D+01  0.142864D+01  0.334298D+00
      3   0.326576D-01  0.941428D+00 -0.128736D+00  0.334298D+00  0.606473D+00
               196           197           198           199           200 
      1   0.100757D+01 -0.745989D-01  0.110461D+01 -0.462536D+01  0.102662D+01
      2  -0.745989D-01  0.515169D+00 -0.724826D-02  0.102662D+01 -0.132703D+01
      3   0.110461D+01 -0.724826D-02 -0.902590D-01 -0.206498D+01  0.380918D+00
               201           202           203           204           205 
      1  -0.206498D+01  0.647769D+00 -0.823765D+00  0.103746D+00 -0.357859D+01
      2   0.380918D+00 -0.823765D+00  0.162611D+00 -0.426969D+00  0.317370D+00
      3  -0.180615D+01  0.103746D+00 -0.426969D+00  0.391828D+00 -0.214922D+01
               206           207           208           209           210 
      1   0.317370D+00 -0.214922D+01 -0.124152D+01  0.133307D+01 -0.667212D+00
      2  -0.144211D+01  0.924924D+00  0.133307D+01 -0.174798D+01  0.102260D+01
      3   0.924924D+00 -0.247519D+01 -0.667212D+00  0.102260D+01 -0.427139D+00
               211           212           213           214           215 
      1   0.111311D+01 -0.133576D+01  0.745406D+00 -0.120976D+01  0.131577D+01
      2  -0.133576D+01  0.769414D+01 -0.301595D+01  0.131577D+01 -0.496763D+01
      3   0.745406D+00 -0.301595D+01  0.222591D+01 -0.516215D+00  0.345237D+01
               216           217           218           219           220 
      1  -0.516215D+00  0.170594D+01  0.926735D+00  0.113270D+01  0.841232D+00
      2   0.345237D+01  0.926735D+00  0.200117D+01  0.117291D+01  0.108830D+01
      3  -0.301209D+01  0.113270D+01  0.117291D+01  0.124611D+01  0.793968D+00
               221           222           223           224           225 
      1   0.108830D+01  0.793968D+00  0.169311D+01  0.108075D+01  0.120580D+01
      2   0.430948D+01  0.181056D+01  0.108075D+01  0.333653D+01  0.270200D+01
      3   0.181056D+01  0.186287D+01  0.120580D+01  0.270200D+01  0.334390D+01
               226           227           228           229           230 
      1  -0.148794D+01  0.156548D+00 -0.902926D+00  0.809023D+00 -0.273284D+00
      2   0.156548D+00 -0.882967D-01 -0.212038D+00 -0.273284D+00 -0.667025D+00
      3  -0.902926D+00 -0.212038D+00 -0.137946D+01 -0.881955D-01 -0.538690D+00
               231           232           233           234           235 
      1  -0.881955D-01 -0.306616D+01 -0.100947D+01 -0.230079D+01 -0.910185D+01
      2  -0.538690D+00 -0.100947D+01 -0.156789D+01 -0.658880D+00  0.547905D+00
      3   0.661139D-01 -0.230079D+01 -0.658880D+00 -0.622553D+01  0.275105D+01
               236           237           238           239           240 
      1   0.547905D+00  0.275105D+01  0.340584D+01 -0.942829D+00 -0.862142D+00
      2  -0.115017D+01 -0.305363D+00 -0.942829D+00  0.305639D+00  0.662008D+00
      3  -0.305363D+00 -0.195673D+01 -0.862142D+00  0.662008D+00  0.823205D+00
               241           242           243           244           245 
      1   0.425890D+01 -0.707409D-01 -0.250718D+01 -0.226574D+00 -0.446238D+00
      2  -0.707409D-01  0.115211D+01  0.183291D+00 -0.446238D+00  0.576122D+00
      3  -0.250718D+01  0.183291D+00  0.146568D+01  0.391497D+00 -0.103982D+00
               246           247           248           249           250 
      1   0.391497D+00 -0.190257D+01 -0.204918D+01  0.284514D+00  0.111834D+01
      2  -0.103982D+00 -0.204918D+01 -0.948534D+01  0.163666D+01  0.437040D+00
      3  -0.682586D-01  0.284514D+00  0.163666D+01 -0.141586D+01 -0.675967D+00
               251           252 
      1   0.437040D+00 -0.675967D+00
      2   0.214829D+01 -0.131822D+01
      3  -0.131822D+01  0.504199D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.439985D+01 -0.328067D+01 -0.352074D+01 -0.372299D+01  0.655765D+01
      2  -0.324870D+01 -0.226438D+01 -0.660828D+01 -0.285552D+01  0.300905D+01
      3  -0.744745D+01 -0.916336D+01  0.588582D+01 -0.299085D+01  0.622534D+01
                 6             7             8             9            10 
      1   0.107640D+01 -0.467564D+01  0.565112D+01 -0.329702D+00  0.393396D+01
      2   0.423263D+01 -0.150138D+02  0.515223D+01  0.720244D-01 -0.320857D+01
      3  -0.542901D-01  0.732909D+01 -0.631255D+00  0.613016D+00  0.782041D+01
                11            12            13            14            15 
      1   0.234344D+01 -0.138022D+01  0.184186D+01 -0.367903D+01 -0.996043D+00
      2  -0.108015D+01  0.449600D+01 -0.163310D+01 -0.222543D+01 -0.195044D+01
      3  -0.442013D+01 -0.217032D+01  0.277934D+01 -0.108495D+02  0.123874D+01
                16            17            18            19            20 
      1  -0.523283D+00  0.588207D+01 -0.458401D+01  0.211081D+01  0.100520D+02
      2   0.108276D+01 -0.214607D+01  0.145989D+02 -0.217586D+01  0.121497D+01
      3  -0.235239D+01  0.272913D+01  0.198420D+01  0.280690D+01  0.380171D+01
                21            22            23            24            25 
      1   0.263026D+01  0.976886D+01 -0.319041D+01  0.578367D+01  0.412997D+01
      2   0.186301D+01  0.156998D+01  0.144977D+00 -0.490651D+00 -0.215910D+01
      3  -0.250536D+01  0.101728D+02  0.435646D+00 -0.809623D+01 -0.309738D+01
                26            27            28            29            30 
      1   0.140793D+02  0.360468D+01  0.110350D+01 -0.700855D+01 -0.476910D+01
      2  -0.145643D+01  0.155006D+01 -0.420243D+00  0.372206D+01  0.133203D+01
      3  -0.894229D+01 -0.265694D+01  0.188773D+01 -0.501532D+01 -0.182599D+01
                31            32            33            34            35 
      1  -0.658971D+01 -0.281378D+01 -0.718830D+01 -0.343443D+01 -0.643981D+00
      2   0.323349D+01  0.234758D+00  0.784849D+01 -0.487419D+01  0.973670D+01
      3   0.783581D+00 -0.383656D+01  0.566795D+01 -0.394849D+01  0.710718D+01
                36            37            38            39            40 
      1  -0.287072D+01  0.426030D+01  0.194128D+00 -0.110630D+00  0.191899D+01
      2  -0.176044D+01  0.484705D+01 -0.419362D+01  0.379759D+01 -0.582761D+01
      3  -0.349235D+01 -0.116797D+02 -0.106602D+02  0.172473D+01 -0.262216D+01
                41            42            43            44            45 
      1   0.855594D+00 -0.421590D+01 -0.880623D+00  0.430815D+01 -0.336610D+01
      2   0.655717D+01 -0.616741D+01 -0.643041D+01 -0.644105D+01 -0.598484D+01
      3   0.397543D+01 -0.496657D+01  0.106764D+01 -0.847035D+01  0.647213D+01
                46            47            48            49            50 
      1  -0.540923D+01 -0.548706D+00 -0.104946D+01  0.402667D+00 -0.547400D-01
      2  -0.212639D+01 -0.125069D+01  0.701461D+00 -0.310267D+00  0.279817D+00
      3   0.463121D+01  0.250007D+01  0.288593D+01  0.999796D+01  0.335110D+01
                51            52            53            54            55 
      1  -0.681221D+01 -0.294149D+01 -0.158141D+01  0.880579D+01  0.244854D+01
      2   0.216924D+01 -0.568128D+01 -0.401703D+00 -0.234890D+01  0.552729D+01
      3   0.461216D+00  0.608353D+01  0.268382D+00 -0.604437D+00 -0.493020D+00
                56            57            58            59            60 
      1   0.543192D+01  0.980911D+01  0.217544D+01  0.264920D+01  0.445013D+01
      2  -0.218898D+01  0.135549D+02 -0.208559D+01 -0.700137D+01 -0.103083D+02
      3  -0.144191D+01 -0.240680D+01  0.283147D+01  0.129378D+01  0.171713D+01
                61            62            63            64            65 
      1   0.869215D+01  0.759612D+01 -0.719000D+01 -0.168238D+01  0.333092D+00
      2   0.596996D+01 -0.733824D+01  0.664565D+00 -0.191837D+01  0.163026D+01
      3  -0.133621D+01  0.178280D+01  0.519305D-02 -0.122660D+01 -0.205158D+01
                66            67            68            69            70 
      1   0.296896D+01  0.146663D+01 -0.112909D+01 -0.318110D+01  0.378427D+01
      2   0.497291D+01  0.121459D+01 -0.347707D+01 -0.390328D+01  0.280535D+01
      3   0.127725D+00  0.187336D+01  0.258687D+01  0.132572D+01  0.197621D+01
                71            72            73            74            75 
      1   0.396400D+00 -0.603992D+01 -0.561319D+01 -0.464208D+00  0.379794D+01
      2  -0.410278D+01 -0.838888D+01  0.100479D+02 -0.358793D+00 -0.567086D+01
      3   0.458686D+01  0.181883D+00 -0.167008D+02 -0.119509D+01  0.630054D+01
                76            77            78            79            80 
      1   0.149837D-01 -0.305996D+01 -0.222011D+01  0.547006D+01  0.172747D+01
      2  -0.400536D+00  0.682242D+01  0.115776D+01 -0.130059D+02 -0.135003D+01
      3   0.990804D+01  0.233195D+02 -0.809637D+01  0.620539D+01 -0.739234D+01
                81            82            83            84            85 
      1   0.755987D+01  0.458117D+00 -0.193224D+00  0.731638D+00 -0.142974D+00
      2  -0.173801D+02 -0.359837D+01  0.565099D-01 -0.144551D+01  0.464024D+00
      3  -0.448425D+01 -0.211567D+01 -0.222890D+00 -0.411458D+00  0.248046D+01
                86            87            88            89            90 
      1   0.502279D+00 -0.825263D+00  0.109404D+01  0.325041D+01  0.455247D+01
      2  -0.156198D+01  0.146240D+01 -0.729806D+01  0.125725D+01 -0.140725D+02
      3   0.485090D+00  0.191991D+01 -0.150510D+01  0.223581D+01 -0.145965D+01
                91            92            93            94            95 
      1  -0.408540D+00 -0.186992D+01 -0.211740D+01 -0.401989D+00 -0.268911D+01
      2   0.430663D+01  0.794961D+00  0.277424D+01  0.188100D+01  0.711636D+00
      3   0.561724D+01 -0.277411D+01 -0.726863D+00  0.347559D+01 -0.179441D+01
                96            97            98            99           100 
      1  -0.187453D+01 -0.964414D+00  0.188497D+01  0.256365D+01 -0.100305D+02
      2   0.980410D+00 -0.188931D+01 -0.448279D+00 -0.155333D+01 -0.226756D+01
      3  -0.482237D+00 -0.197535D+01  0.247439D+00  0.120458D+01  0.883476D+01
               101           102           103           104           105 
      1  -0.195584D+01  0.180683D+01 -0.517342D+01  0.250927D+01 -0.131396D+02
      2   0.119901D+02  0.117065D+02  0.140733D+02 -0.442080D+01  0.291743D+01
      3  -0.505058D+00 -0.260148D+01  0.469703D+01 -0.242853D+01  0.820456D+01
               106           107           108           109           110 
      1   0.374388D+01 -0.633506D+01  0.595343D+01 -0.678485D+00  0.173513D+01
      2   0.598437D+01  0.158372D+01  0.377606D+00 -0.645855D+01  0.239414D+01
      3  -0.357529D+01  0.670818D+01 -0.461781D+01  0.182895D+02  0.870669D+01
               111           112           113           114           115 
      1  -0.383137D+00  0.252908D+01 -0.442466D+01  0.318068D+01 -0.219598D+01
      2   0.147905D+01  0.217907D+01 -0.878111D+01  0.108491D+02 -0.610250D+01
      3  -0.179536D+01  0.172362D+02 -0.913783D+01  0.642687D+01 -0.161257D+01
               116           117           118           119           120 
      1   0.777438D+01  0.570838D+01  0.119423D+01 -0.150686D+00 -0.404508D-01
      2   0.123938D+02  0.160427D+02 -0.428323D+00 -0.135967D+00  0.101036D+01
      3   0.697460D+01 -0.105927D+02 -0.127511D+00 -0.523978D+00 -0.595833D+00
               121           122           123           124           125 
      1   0.363863D+00  0.250826D+01 -0.594761D+01  0.171210D+00 -0.228330D+00
      2  -0.980211D-01 -0.651349D+00  0.323911D+00 -0.157647D+01  0.180978D+00
      3   0.779266D+01 -0.139379D+01 -0.155460D+00 -0.147962D+01 -0.232531D+00
               126           127           128           129           130 
      1  -0.120698D-01  0.222690D+01 -0.432604D+01 -0.179862D+01 -0.262538D+01
      2   0.656540D-02  0.756183D+01 -0.272296D+01 -0.263797D+01 -0.422006D+01
      3  -0.373293D-01 -0.161000D+01 -0.626189D+00  0.667569D+00  0.251126D+01
               131           132           133           134           135 
      1   0.415485D+01  0.718774D+00 -0.190089D+01  0.454308D+01  0.263271D+01
      2   0.252986D+01  0.235581D+01 -0.670823D+01  0.241180D+01  0.262370D+01
      3  -0.165427D+00 -0.201135D+00  0.142720D+01  0.564562D+00 -0.581987D+00
               136           137           138           139           140 
      1  -0.182395D+01  0.462517D+01 -0.256070D+01  0.184537D+01 -0.251102D+01
      2  -0.151831D+02  0.104788D+01 -0.415319D+01  0.308517D+01 -0.153210D+01
      3   0.121205D+01 -0.286109D+01  0.121456D+01  0.614323D+00  0.672537D+00
               141           142           143           144           145 
      1  -0.695314D-01 -0.168279D+01  0.294137D+01 -0.101985D+01  0.411266D+01
      2   0.202231D+01 -0.724774D+01  0.964395D+00 -0.399265D+01  0.141551D+02
      3  -0.275662D+00  0.360775D+00 -0.180414D+01  0.893421D+00 -0.544508D+01
               146           147           148           149           150 
      1  -0.505587D+01 -0.363831D+00 -0.350249D+01  0.471446D+01  0.666134D+00
      2  -0.588551D+01 -0.459159D+01 -0.726316D+01  0.488589D+01  0.304284D+01
      3   0.176799D+01  0.158172D+01  0.429187D+01 -0.257703D+01 -0.206560D+01
               151           152           153           154           155 
      1  -0.136770D+01  0.357536D+01  0.866597D+00  0.602877D+01  0.576482D+01
      2  -0.727539D+01  0.331253D+01  0.504274D+01 -0.874207D+01 -0.395372D+01
      3   0.224168D+01 -0.129697D+01 -0.174201D+01 -0.244306D+01 -0.587214D+01
               156           157           158           159           160 
      1   0.591683D+00  0.452174D+01  0.520844D+01  0.115031D+01  0.652913D+00
      2   0.206042D+01 -0.629460D+01 -0.181556D+01  0.891943D+00 -0.178217D+01
      3  -0.162610D+01 -0.113602D+01 -0.486351D+01 -0.230845D+01 -0.522854D-01
               161           162           163           164           165 
      1   0.225776D+01  0.835946D+00 -0.514738D+00  0.184660D+01 -0.800206D+00
      2  -0.476721D+00 -0.674173D+00  0.609837D+00 -0.340378D+00  0.261718D+00
      3  -0.109999D+01 -0.396254D+00  0.460661D+00 -0.188128D+01  0.934039D+00
               166           167           168           169           170 
      1   0.281371D+01 -0.105861D+02  0.460312D+01 -0.198048D+01  0.768739D+01
      2   0.177185D+01  0.335063D+01 -0.635286D+01 -0.279618D+01 -0.252309D+01
      3   0.510190D-02  0.715493D+01 -0.546692D+01  0.491015D+00 -0.431488D+01
               171           172           173           174           175 
      1  -0.548693D+01 -0.169050D+01  0.131866D+00 -0.218890D+00 -0.309935D-01
      2   0.552878D+01 -0.315244D+01  0.100289D+01  0.140353D+00  0.521649D+00
      3   0.438484D+01 -0.772343D-01 -0.111094D+01  0.656077D+00 -0.610178D+00
               176           177           178           179           180 
      1   0.284817D+00 -0.314262D+01  0.576125D-01  0.682869D+00 -0.827884D+01
      2  -0.247467D+01 -0.584184D+01 -0.224101D+01 -0.566676D+01 -0.204098D+02
      3   0.333744D+01  0.258891D+01  0.161486D+01  0.449586D+01  0.572669D+01
               181           182           183           184           185 
      1   0.114537D+01 -0.919353D+00  0.813109D+00 -0.178205D+01  0.356816D+01
      2   0.238274D+01 -0.179015D+01  0.218757D+01 -0.241511D+01  0.743938D+01
      3   0.103632D+01 -0.366161D+01  0.653167D+00 -0.358002D+01  0.164748D+02
               186           187           188           189           190 
      1  -0.613148D+01  0.113520D+01 -0.177459D+01  0.378700D+01 -0.334535D+00
      2  -0.759878D+01  0.160966D+01 -0.590164D+01  0.529363D+01  0.292537D+01
      3  -0.555542D+01  0.679359D+00 -0.854438D+01  0.507363D+01 -0.153408D+02
               191           192           193           194           195 
      1  -0.399593D+00  0.373818D+00 -0.501593D+00 -0.156542D+00 -0.101955D+01
      2   0.103490D+01  0.601128D+01  0.100152D+01  0.170543D+01  0.314307D+01
      3  -0.103817D+02 -0.491215D+00 -0.904943D+01 -0.797929D+01 -0.112855D+01
               196           197           198           199           200 
      1   0.846916D+00  0.391358D+00 -0.243786D+00  0.342048D+01  0.387927D+00
      2   0.176976D+01 -0.188596D+00  0.437458D-01  0.490050D+01 -0.910599D+00
      3  -0.450873D+00 -0.192939D+01 -0.824751D+00 -0.459463D+01 -0.385810D+01
               201           202           203           204           205 
      1   0.310297D+01 -0.110415D+00  0.421496D+00 -0.165246D+01  0.280908D+01
      2   0.688619D+01 -0.105667D+00  0.114366D+01 -0.981999D+00  0.373808D+01
      3  -0.228354D+01  0.648639D+00 -0.176345D+01 -0.512728D+00 -0.504185D+01
               206           207           208           209           210 
      1   0.523883D-03  0.459220D+01  0.105830D+01 -0.250434D+01  0.148780D+01
      2  -0.190327D+01  0.759920D+01 -0.835805D+00  0.238154D+00  0.121430D+01
      3  -0.404854D+01 -0.126278D+01 -0.336058D+01  0.771773D+00 -0.121727D+01
               211           212           213           214           215 
      1  -0.156056D+01  0.460672D+01 -0.745080D+01  0.145551D+00 -0.469131D+01
      2   0.104265D+01  0.143711D+00 -0.855020D+00 -0.203848D+01 -0.227016D-01
      3   0.477086D+01 -0.762465D+00  0.960062D+00 -0.434569D+01  0.135607D+01
               216           217           218           219           220 
      1   0.753327D+01 -0.353839D+01 -0.285731D+01 -0.468186D+01 -0.224914D+01
      2   0.678679D+00  0.151241D+00 -0.226295D+00  0.858445D+00 -0.848917D+00
      3   0.619014D-01  0.561809D+01  0.325886D+00  0.331794D+01  0.364717D+01
               221           222           223           224           225 
      1  -0.464546D+01 -0.654420D+01 -0.406730D+01 -0.512854D+01 -0.116032D+02
      2  -0.692142D+00  0.410114D+00 -0.225894D+01 -0.182935D+00 -0.871650D+00
      3   0.262210D+01  0.259957D+01  0.669776D+01  0.303484D+01  0.349155D+01
               226           227           228           229           230 
      1  -0.161968D+01  0.824715D-01 -0.212630D+01 -0.354779D+00 -0.737002D+00
      2   0.303403D+01  0.960066D+00  0.490661D+01  0.837671D+00  0.159452D+01
      3   0.214451D+01 -0.123841D+01  0.560363D+00 -0.295994D+00 -0.110048D+01
               231           232           233           234           235 
      1  -0.864548D+00 -0.269296D+01  0.209874D+01 -0.100560D+02  0.376037D+01
      2  -0.588025D+00  0.332845D+01  0.128075D+01  0.218149D+02 -0.498468D+01
      3  -0.118075D+01  0.135745D+01 -0.444216D+01  0.145809D+01  0.143096D+02
               236           237           238           239           240 
      1  -0.153114D+01 -0.244260D+01 -0.112801D+01  0.133979D+01  0.523852D+00
      2   0.969863D+00  0.828121D+01  0.116584D+01 -0.178164D+01 -0.319073D+01
      3  -0.743610D+01 -0.500075D+01 -0.550078D+01  0.301295D+01  0.310886D+01
               241           242           243           244           245 
      1  -0.272873D+01  0.213810D+01  0.148807D+01  0.481612D+00  0.136904D+00
      2   0.445033D+01 -0.784367D+00 -0.404380D+01 -0.137481D+01  0.237428D+00
      3  -0.579679D+01  0.498321D+01  0.374670D+01 -0.197665D+01  0.800527D+00
               246           247           248           249           250 
      1   0.250019D+00 -0.112290D+00 -0.196047D+00 -0.493543D+01 -0.726361D+00
      2   0.669543D+00  0.316393D+00 -0.413769D+01  0.442187D+01  0.316131D+00
      3  -0.844909D+00  0.592103D+00 -0.263236D+02  0.465210D+01 -0.962065D+00
               251           252 
      1  -0.257242D+00  0.590152D+00
      2   0.308879D+01 -0.782045D+00
      3   0.607430D+01 -0.254456D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.523989D+01  0.864345D+01 -0.108437D+02  0.654355D+01 -0.233968D+01
      2   0.370067D+01 -0.603948D+01  0.609636D+01 -0.446018D+01  0.473533D+01
      3   0.153922D+01 -0.260397D+01  0.474739D+01 -0.208337D+01 -0.239564D+01
      4   0.146905D+02 -0.496408D+01 -0.734100D-01 -0.814471D+01 -0.813459D+01
      5  -0.287107D+01 -0.483977D+01 -0.141364D+02 -0.679267D+01  0.505139D+01
      6  -0.341204D+00  0.684892D+01  0.810695D+01  0.702523D+01 -0.644463D+01
                 6             7             8             9            10 
      1  -0.892398D-03 -0.141369D+02 -0.163386D+01 -0.130066D+02 -0.828010D+00
      2  -0.137811D+01  0.948497D+01  0.225598D+01  0.676951D+01 -0.165118D+01
      3   0.137900D+01  0.465193D+01 -0.622111D+00  0.623705D+01  0.247919D+01
      4   0.750407D+01 -0.140978D+01  0.109459D+02  0.189367D+02 -0.191214D+02
      5   0.785322D+01 -0.215880D+02  0.129576D+02  0.346278D+01 -0.402611D+01
      6  -0.605463D+01  0.137755D+02 -0.737898D+01 -0.677145D+01 -0.433171D+00
                11            12            13            14            15 
      1  -0.108148D+02 -0.293732D+01 -0.148546D+02 -0.751593D+01 -0.239240D+01
      2   0.172189D+01  0.904981D+00  0.596672D+01  0.897259D+01  0.730711D+00
      3   0.909292D+01  0.203234D+01  0.888790D+01 -0.145665D+01  0.166169D+01
      4  -0.102421D+02 -0.210755D+01 -0.970954D+01  0.114236D+02 -0.524550D-01
      5   0.195449D+01  0.470527D+01  0.110365D+01 -0.770957D+00 -0.318432D+01
      6  -0.231963D+01  0.410117D+00 -0.102814D+01 -0.427982D+00 -0.187602D+01
                16            17            18            19            20 
      1  -0.183359D+01 -0.373690D+01  0.198108D+02 -0.342010D+01 -0.431201D+01
      2   0.943640D+00 -0.271783D+01  0.201024D+01  0.305964D+01  0.656013D-01
      3   0.889945D+00  0.645473D+01 -0.218210D+02  0.360458D+00  0.424641D+01
      4  -0.385725D+01 -0.424244D+01 -0.151028D+01  0.146745D+00 -0.391146D+01
      5   0.124537D+02 -0.251783D+01  0.141356D+02 -0.337734D+01  0.888229D+00
      6   0.164717D+01  0.106648D+01  0.118242D+02 -0.261951D+01 -0.143556D+02
                21            22            23            24            25 
      1   0.103332D+02 -0.668905D+01  0.178838D+02 -0.532387D+01  0.147602D+02
      2  -0.152899D+02  0.392067D+01 -0.209839D+02  0.666521D+01 -0.174762D+02
      3   0.495676D+01  0.276838D+01  0.310007D+01 -0.134134D+01  0.271597D+01
      4  -0.182116D+01  0.156438D+01  0.405380D+01 -0.128746D+02 -0.371484D+01
      5  -0.159420D+01  0.107493D+01 -0.689109D+01  0.141187D+00  0.775758D+00
      6   0.102466D+01 -0.136095D+02  0.117236D+02 -0.161322D+02 -0.279307D+01
                26            27            28            29            30 
      1  -0.813520D+01  0.156831D+02 -0.543753D+01 -0.202893D+01 -0.183139D+01
      2   0.960226D+01 -0.210714D+02  0.417932D+01  0.101013D+02  0.802882D+01
      3  -0.146705D+01  0.538831D+01  0.125821D+01 -0.807233D+01 -0.619743D+01
      4  -0.142516D+02 -0.321268D+01 -0.138838D+02 -0.132427D+02  0.125094D+02
      5  -0.713969D+00 -0.384173D+01  0.106373D+02  0.108144D+02 -0.104612D+02
      6  -0.254212D+02  0.146707D+01  0.808681D+01  0.115618D+02 -0.122344D+02
                31            32            33            34            35 
      1   0.911199D+00 -0.662955D+01  0.669814D+01 -0.223396D+01  0.125404D+02
      2   0.429334D+01  0.116938D+02 -0.459741D+01  0.691405D+01 -0.556221D+01
      3  -0.520454D+01 -0.506421D+01 -0.210074D+01 -0.468010D+01 -0.697822D+01
      4  -0.130130D+02 -0.703840D+01  0.601587D+01  0.179043D+02  0.682833D+01
      5   0.796098D+01  0.284095D+01 -0.334274D+01 -0.875377D+01 -0.328338D+01
      6   0.783709D+01  0.259574D+01 -0.591279D+01 -0.905267D+01  0.252943D+00
                36            37            38            39            40 
      1  -0.569859D+01  0.661037D+01  0.146364D+02  0.125875D+02  0.167905D+02
      2   0.781317D+01 -0.105664D+02 -0.971967D+01 -0.577114D+01 -0.884542D+01
      3  -0.211458D+01  0.395603D+01 -0.491678D+01 -0.681641D+01 -0.794512D+01
      4  -0.662357D+00  0.138909D+02  0.441105D+00 -0.931140D+01  0.282078D+01
      5  -0.402378D+00  0.137750D+02 -0.391331D+01  0.727268D+01 -0.234904D+01
      6  -0.293702D+00 -0.181362D+01  0.608560D+00  0.281922D+01  0.346420D+01
                41            42            43            44            45 
      1  -0.239106D+01 -0.141607D+01  0.143459D+02 -0.391491D+01  0.535330D+01
      2   0.107187D+01  0.541603D+01 -0.718033D+01  0.253110D+01 -0.920897D+00
      3   0.131919D+01 -0.399996D+01 -0.716555D+01  0.138381D+01 -0.443240D+01
      4  -0.458288D+01  0.920361D+01 -0.114939D+02  0.850586D+01 -0.104573D+02
      5   0.111005D+02 -0.659250D+01  0.438667D+01 -0.903833D+01 -0.457981D+01
      6  -0.993009D+00  0.695953D+01 -0.231031D+01  0.283828D+00 -0.220649D+01
                46            47            48            49            50 
      1  -0.750693D+01  0.572736D-01 -0.297081D+01  0.790697D+00  0.241976D+02
      2   0.451408D+01  0.419334D+01  0.429846D+01  0.697407D+00 -0.378009D+02
      3   0.299285D+01 -0.425062D+01 -0.132765D+01 -0.148810D+01  0.136033D+02
      4   0.355070D+01  0.275670D+01  0.273904D+01  0.325813D+01  0.181622D+01
      5  -0.569175D+01 -0.358574D+01 -0.332180D+01 -0.440242D+01 -0.710833D+01
      6   0.236569D-01  0.838669D+00 -0.427003D+01 -0.296075D+01 -0.286957D+01
                51            52            53            54            55 
      1  -0.669203D+01 -0.125119D+01 -0.168692D+01  0.338548D+00  0.557226D+01
      2  -0.346315D+00  0.394866D+01 -0.726748D+00  0.805794D+01  0.833485D+01
      3   0.703835D+01 -0.269747D+01  0.241366D+01 -0.839649D+01 -0.139071D+02
      4  -0.396524D+01  0.551944D+01  0.146095D+01  0.134305D+01  0.176491D+01
      5   0.133945D+01 -0.136450D+01  0.158964D+01 -0.161864D+01 -0.627753D+01
      6  -0.482626D+00  0.223961D+00  0.432287D+01 -0.195310D+01  0.774095D+00
                56            57            58            59            60 
      1  -0.709390D+01 -0.338739D+00 -0.649961D+01 -0.486699D+01  0.676319D+01
      2  -0.836365D+01  0.204344D+00 -0.760648D+01 -0.690823D+00  0.505278D+01
      3   0.154575D+02  0.134396D+00  0.141061D+02  0.555782D+01 -0.118160D+02
      4  -0.151435D+01 -0.186209D+01 -0.842998D+00  0.177507D+01  0.351714D+01
      5   0.138051D+01 -0.144142D+02  0.290107D+01  0.700451D+01  0.102579D+02
      6   0.388152D+01  0.157515D+02  0.733994D+01  0.897056D+00  0.210024D+01
                61            62            63            64            65 
      1  -0.297091D+01  0.677712D+00 -0.208017D+01  0.106433D+02 -0.436021D+01
      2  -0.134338D+01  0.810255D+01 -0.797440D+00 -0.566185D+01  0.511685D+00
      3   0.431428D+01 -0.878026D+01  0.287761D+01 -0.498148D+01  0.384852D+01
      4  -0.649516D+01 -0.395901D+00  0.450491D+01 -0.145250D+02  0.117361D+02
      5  -0.931933D+01  0.784812D+01  0.133303D+01 -0.117222D+02  0.640932D+01
      6   0.111147D+02 -0.132003D+01 -0.650986D+01  0.723362D+01 -0.619724D+01
                66            67            68            69            70 
      1  -0.375053D+01 -0.272782D+01 -0.364247D+01 -0.189778D+01 -0.666971D+01
      2   0.270658D+01 -0.113893D+01  0.834901D+01  0.281727D+01  0.527676D+01
      3   0.104396D+01  0.386676D+01 -0.470654D+01 -0.919480D+00  0.139295D+01
      4   0.818717D+01  0.135433D+02 -0.131326D+02 -0.104319D+02  0.139666D+02
      5   0.127407D+02  0.642167D+01 -0.868700D+01 -0.786371D+01  0.181643D+02
      6  -0.693261D+01 -0.719567D+01  0.105231D+02  0.104054D+02 -0.118513D+02
                71            72            73            74            75 
      1  -0.199991D+01  0.852504D-01 -0.220308D+02  0.175394D+02  0.191278D+02
      2   0.273301D+01 -0.631177D+01  0.224103D+02 -0.563179D+01 -0.118057D+02
      3  -0.733101D+00  0.622652D+01 -0.379482D+00 -0.119076D+02 -0.732218D+01
      4  -0.152412D+02 -0.153296D+02  0.218547D+02  0.144208D+02 -0.336553D+00
      5  -0.113523D+02 -0.199550D+02  0.226269D+02 -0.481897D+01 -0.160724D+02
      6   0.134856D+02  0.173547D+02  0.421693D+01 -0.586786D+00 -0.421002D+01
                76            77            78            79            80 
      1   0.300287D+02  0.214770D+02 -0.934009D+01  0.218794D+02 -0.640658D+01
      2  -0.177128D+02 -0.304720D+02  0.111194D+02 -0.108245D+02  0.104363D+02
      3  -0.123159D+02  0.899502D+01 -0.177935D+01 -0.110549D+02 -0.402974D+01
      4   0.961243D+01 -0.267768D+02  0.926761D+01  0.249863D+01  0.974091D+01
      5  -0.596384D+01  0.107942D+02  0.361506D+01 -0.229004D+02 -0.101146D-01
      6   0.463338D+00  0.124958D+02 -0.836804D+00 -0.676214D+01 -0.178306D+01
                81            82            83            84            85 
      1  -0.173678D+02 -0.530916D+00  0.224051D+01 -0.201284D+01  0.210322D+01
      2   0.120733D+02 -0.303348D+01 -0.619283D+00  0.312461D+00 -0.673601D+00
      3   0.529446D+01  0.356439D+01 -0.162123D+01  0.170038D+01 -0.142961D+01
      4  -0.341114D+01  0.180962D+01  0.289098D+01 -0.804541D+00  0.426308D+01
      5  -0.269848D+02  0.459415D+00 -0.448071D+00  0.556843D+01 -0.449297D+00
      6  -0.131438D+02 -0.969322D+00  0.644493D+00 -0.565009D+00  0.510492D+00
                86            87            88            89            90 
      1  -0.351941D+01  0.312414D+01 -0.509962D+01  0.309202D+01 -0.202013D+02
      2   0.106169D+01 -0.759786D+00  0.113829D+01  0.121636D+01 -0.129418D+02
      3   0.245772D+01 -0.236435D+01  0.396133D+01 -0.430838D+01  0.331431D+02
      4   0.708752D+00 -0.231675D+01 -0.297334D+01 -0.448305D+01  0.196016D+01
      5  -0.200236D+01  0.248593D+01  0.480104D+01  0.341001D+01 -0.172160D+02
      6  -0.359268D+01  0.788721D+01  0.261003D+00  0.655172D+01 -0.116349D+02
                91            92            93            94            95 
      1   0.155473D+02  0.353448D+01 -0.209049D+01  0.979782D+00 -0.396018D+01
      2  -0.824708D+01  0.101869D+01  0.288879D+01  0.244014D+01  0.975510D+01
      3  -0.730024D+01 -0.455317D+01 -0.798294D+00 -0.341993D+01 -0.579491D+01
      4   0.229852D+02  0.185005D+02 -0.113738D+02  0.156006D+02  0.161665D+02
      5  -0.193566D+02 -0.115649D+02  0.155048D+02 -0.878193D+01 -0.923014D+01
      6  -0.119454D+02 -0.110877D+02  0.999766D+01 -0.949165D+01 -0.132210D+02
                96            97            98            99           100 
      1   0.207423D+01 -0.125331D+01  0.180419D+01 -0.262702D+01 -0.287650D+01
      2  -0.148754D+01  0.239503D+01 -0.238010D+00 -0.513786D+01  0.443247D+01
      3  -0.586682D+00 -0.114172D+01 -0.156618D+01  0.776488D+01 -0.155597D+01
      4  -0.859346D+01 -0.956801D+01 -0.821817D+01  0.912036D+01 -0.192426D+02
      5   0.677020D+01  0.134740D+02  0.849929D+01 -0.115083D+02 -0.156940D+02
      6   0.101463D+02  0.930791D+01  0.101863D+02 -0.113291D+02 -0.164701D+02
               101           102           103           104           105 
      1  -0.196540D+02 -0.138768D+02 -0.232661D+02  0.253346D+01 -0.798065D+01
      2   0.445976D+01  0.282786D+01  0.567588D+01  0.879071D+01 -0.636901D+01
      3   0.151942D+02  0.110490D+02  0.175902D+02 -0.113242D+02  0.143497D+02
      4  -0.816051D+01 -0.201273D+01 -0.109775D+02  0.249147D+01 -0.144779D+02
      5  -0.115003D+02 -0.766025D+01 -0.118937D+02 -0.157517D+02  0.981623D+01
      6  -0.641017D+01  0.304791D+01 -0.964335D+01  0.697603D+01 -0.196795D+02
               106           107           108           109           110 
      1  -0.112959D+02 -0.345675D+01 -0.211714D+01 -0.241270D+02 -0.291724D+02
      2   0.271828D+01 -0.672797D+01 -0.519714D+01  0.171410D+02  0.178662D+02
      3   0.857758D+01  0.101847D+02  0.731428D+01  0.698604D+01  0.113061D+02
      4   0.250081D+01 -0.101299D+02  0.103257D+02 -0.274641D+02 -0.284636D+01
      5  -0.711242D+01  0.109668D+02  0.556044D+01 -0.102562D+02  0.736987D+01
      6   0.701958D+01 -0.137937D+02  0.134940D+02  0.614105D+01 -0.275217D+01
               111           112           113           114           115 
      1  -0.979845D+01 -0.381003D+02 -0.354890D+01  0.190343D+01 -0.103570D+02
      2   0.208117D+01  0.246119D+02 -0.731173D+01  0.661593D+01  0.795623D+00
      3   0.771728D+01  0.134884D+02  0.108606D+02 -0.851936D+01  0.956135D+01
      4   0.797365D+01 -0.107612D+02  0.170674D+02 -0.151022D+02  0.968708D+01
      5   0.859522D+00  0.884827D+01 -0.138036D+02  0.151725D+02 -0.261427D+01
      6   0.299292D+00 -0.450409D+01  0.907215D+01 -0.853371D+01  0.384121D+01
               116           117           118           119           120 
      1   0.159500D+01  0.664944D+01  0.559627D-01  0.182016D+01 -0.415977D+00
      2   0.865893D+01 -0.663691D+01  0.377623D+01 -0.262731D+01 -0.500977D+00
      3  -0.102539D+02 -0.125318D-01 -0.383220D+01  0.807150D+00  0.916953D+00
      4  -0.159824D+02  0.162448D+02 -0.120971D+00  0.998631D+01 -0.957575D+00
      5   0.174166D+02  0.207904D+02  0.488021D+00  0.432455D+00  0.280458D+01
      6  -0.807485D+01 -0.876413D+01  0.165231D+00 -0.223055D+00 -0.117507D+00
               121           122           123           124           125 
      1   0.545627D+00 -0.293513D+02 -0.484186D+00 -0.639474D+00  0.468162D+00
      2   0.118685D+01  0.535705D+02 -0.690883D+00 -0.851048D+00 -0.190295D+01
      3  -0.173248D+01 -0.242191D+02  0.117507D+01  0.149052D+01  0.143479D+01
      4   0.899010D+01  0.128060D+01  0.248870D+00 -0.180733D+01 -0.546340D+00
      5   0.168533D+00  0.122267D+01  0.196959D+00  0.219347D+01  0.651163D-01
      6   0.350785D+00  0.486264D+01  0.747538D+01  0.633941D+00  0.810246D+01
               126           127           128           129           130 
      1  -0.426154D+01  0.250033D+00  0.184408D+01  0.727875D+01  0.206208D+01
      2   0.345495D+01 -0.716279D+01  0.307649D+01  0.792194D+01  0.173378D+01
      3   0.806584D+00  0.691276D+01 -0.492058D+01 -0.152007D+02 -0.379586D+01
      4   0.233021D+00 -0.477433D+01  0.369725D+01  0.332640D+01  0.422875D+01
      5   0.122768D+01 -0.849713D+01  0.405324D+01  0.122950D+02  0.423010D+01
      6   0.383464D+00  0.495919D+01 -0.612118D+01 -0.774706D+01 -0.550290D+01
               131           132           133           134           135 
      1  -0.610293D+01 -0.942116D+01  0.380760D+01 -0.655012D+01 -0.172485D+02
      2   0.202283D+00 -0.381101D+01  0.532600D+01 -0.390449D+01 -0.155655D+02
      3   0.590064D+01  0.132322D+02 -0.913361D+01  0.104546D+02  0.328140D+02
      4  -0.359237D+01 -0.326635D+01  0.314665D+01 -0.289907D+01 -0.434136D+01
      5  -0.478473D+01 -0.530933D+01  0.106579D+02 -0.500118D+01 -0.122806D+02
      6   0.109105D+02  0.129151D+02 -0.595866D+01  0.102088D+02  0.149145D+02
               136           137           138           139           140 
      1   0.189323D+01  0.182349D+01 -0.659495D+01  0.160794D+01 -0.175618D+01
      2  -0.106685D+02  0.125896D+01 -0.114139D+02  0.234104D+01  0.767616D+00
      3   0.877531D+01 -0.308244D+01  0.180088D+02 -0.394898D+01  0.988566D+00
      4   0.891574D+00  0.407487D+01 -0.171286D+00  0.355486D+01 -0.831421D+00
      5   0.186074D+02 -0.190075D+01  0.175258D+02 -0.377221D+01  0.231478D+01
      6  -0.236452D+01  0.443439D+01 -0.354231D+01  0.276612D+01 -0.383398D+01
               141           142           143           144           145 
      1   0.231596D+01 -0.198172D+01  0.834649D+00 -0.881872D+01 -0.729242D+01
      2   0.186049D+01 -0.773136D+01 -0.263835D+00 -0.119523D+02  0.165336D+01
      3  -0.417645D+01  0.971308D+01 -0.570814D+00  0.207710D+02  0.563906D+01
      4   0.112303D+01  0.394664D+00  0.163781D+01 -0.643556D+00  0.197869D+01
      5  -0.436539D+01  0.138295D+02 -0.217849D+01  0.138778D+02 -0.872179D+01
      6   0.579944D+01 -0.258735D+01  0.490907D+01 -0.177785D+01  0.625717D+01
               146           147           148           149           150 
      1   0.835562D+01  0.110598D+02  0.856556D+01 -0.827596D+01 -0.657479D+01
      2  -0.263871D+01  0.363675D+01 -0.340617D+01  0.331813D+01 -0.116554D+01
      3  -0.571691D+01 -0.146966D+02 -0.515939D+01  0.495783D+01  0.774032D+01
      4   0.357692D+00 -0.839224D+00  0.261562D+01  0.927591D+00  0.295589D+01
      5   0.386378D+01  0.160869D+01  0.599801D+01 -0.368436D+00 -0.744414D+00
      6  -0.612196D+01 -0.623130D+01 -0.331504D+01  0.686408D+01  0.926926D+01
               151           152           153           154           155 
      1   0.690990D+01 -0.585934D+01 -0.109737D+02  0.279495D+02  0.947690D+01
      2   0.108889D+01  0.896234D+00 -0.306128D+01 -0.162316D+02 -0.292549D+01
      3  -0.799878D+01  0.496310D+01  0.140350D+02 -0.117179D+02 -0.655142D+01
      4  -0.383643D+00  0.144983D+01  0.587875D-01  0.186968D+02  0.149908D+02
      5   0.587454D+01 -0.229742D+01 -0.249015D+01  0.275706D+02  0.122700D+02
      6  -0.501997D+01  0.823611D+01  0.579734D+01  0.118526D+02  0.102179D+02
               156           157           158           159           160 
      1   0.567054D+01  0.125198D+02  0.375818D+01  0.143580D+01  0.439579D+00
      2  -0.897994D+01 -0.479917D+01  0.553435D+00 -0.316611D+01 -0.379791D+01
      3   0.330941D+01 -0.772060D+01 -0.431161D+01  0.173031D+01  0.335833D+01
      4   0.708686D+01  0.162688D+02  0.142974D+02  0.789403D+01  0.189036D+01
      5   0.185892D+02  0.152302D+02  0.111220D+02  0.933515D+01  0.100487D+02
      6   0.605267D+01  0.100713D+02  0.957032D+01  0.932128D+01  0.352987D+01
               161           162           163           164           165 
      1  -0.923117D-01  0.110936D+01  0.204421D+01 -0.256103D+00  0.304056D+01
      2  -0.105155D+01 -0.414816D+01 -0.334517D+01  0.180676D+01 -0.413903D+01
      3   0.114386D+01  0.303880D+01  0.130097D+01 -0.155066D+01  0.109846D+01
      4   0.281208D+01  0.309862D+01 -0.162926D+01  0.547467D+01 -0.272178D+01
      5   0.394774D+01  0.709541D+01  0.720975D+01 -0.318884D+01  0.888146D+01
      6   0.556258D+01  0.262859D+01 -0.206508D+01  0.295337D+01 -0.240576D+01
               166           167           168           169           170 
      1  -0.654044D+00 -0.799470D+01  0.108716D+02  0.145836D+01  0.613347D+01
      2   0.353442D+01  0.129639D+00  0.835811D+01 -0.492995D+01  0.506866D+01
      3  -0.288038D+01  0.786506D+01 -0.192297D+02  0.347159D+01 -0.112021D+02
      4   0.798423D+01 -0.132030D+02  0.103422D+02 -0.323523D+01  0.698621D+01
      5  -0.913922D+01  0.108588D+02 -0.160555D+02  0.959839D+01 -0.810402D+01
      6   0.651274D+01 -0.211831D+02  0.199919D+02 -0.381943D+01  0.142884D+02
               171           172           173           174           175 
      1  -0.119129D+02  0.249342D+01  0.119637D+01 -0.324593D+01  0.145241D+01
      2  -0.117510D+02 -0.319770D+01 -0.162208D-01  0.269222D+01 -0.171208D+01
      3   0.236639D+02  0.704274D+00 -0.118015D+01  0.553712D+00  0.259669D+00
      4  -0.764466D+01  0.957148D+00  0.173089D+01  0.271088D+01  0.584480D+01
      5   0.152136D+02 -0.312493D+01  0.139170D+01  0.561803D+01  0.247113D+01
      6  -0.153046D+02  0.173374D+01 -0.382408D+00 -0.143631D+01 -0.158673D+01
               176           177           178           179           180 
      1  -0.180550D+01 -0.275001D+01 -0.104807D+02 -0.185516D+01 -0.669007D+01
      2   0.371228D+01  0.124967D+01  0.610854D+01  0.201222D+01 -0.499663D+01
      3  -0.190679D+01  0.150034D+01  0.437212D+01 -0.157054D+00  0.116867D+02
      4  -0.824743D+01 -0.516702D+01  0.801938D+01 -0.960509D+01 -0.112891D+02
      5  -0.507956D+01 -0.101967D+02  0.127378D+02 -0.121474D+02 -0.335247D+02
      6   0.502799D+01  0.950924D+01 -0.440529D+01  0.103234D+02  0.169535D+02
               181           182           183           184           185 
      1   0.971099D+01 -0.376580D+01  0.359847D+01 -0.639098D+01 -0.288807D+01
      2  -0.241935D+01 -0.815754D+00 -0.688488D+00 -0.492133D+01  0.230866D+02
      3  -0.729164D+01  0.458155D+01 -0.290998D+01  0.113123D+02 -0.201985D+02
      4  -0.708849D+01  0.113994D+02 -0.493582D+01  0.223917D+02 -0.371263D+02
      5   0.394849D+01 -0.387563D+01  0.385950D+01 -0.610443D+01  0.116519D+02
      6  -0.284078D+01  0.117382D+01 -0.746375D+00  0.383774D+01 -0.959290D+01
               186           187           188           189           190 
      1   0.151411D+01  0.893323D+01  0.110391D+01 -0.195702D+01  0.681120D+02
      2  -0.676517D+01 -0.127864D+01 -0.920473D+01  0.285545D+01 -0.371041D+02
      3   0.525106D+01 -0.765459D+01  0.810082D+01 -0.898438D+00 -0.310079D+02
      4   0.124319D+02 -0.125174D+02  0.185431D+02 -0.112313D+02  0.744412D+01
      5  -0.123869D+02  0.777330D+01 -0.114870D+02  0.964151D+01 -0.961618D+00
      6   0.942120D+01 -0.461830D+01  0.951827D+01 -0.780672D+01 -0.153487D+01
               191           192           193           194           195 
      1   0.159669D+02  0.184986D+01  0.358757D+02  0.114373D+02  0.439827D+00
      2  -0.105532D+02 -0.857480D+00 -0.197913D+02 -0.451185D+01 -0.814963D+00
      3  -0.541367D+01 -0.992385D+00 -0.160844D+02 -0.692541D+01  0.375136D+00
      4   0.121939D+02  0.736828D-01  0.132664D+02  0.104868D+02  0.208527D+01
      5  -0.537871D+00  0.926715D+01 -0.187575D+01  0.132594D+01  0.525454D+01
      6  -0.804798D+00 -0.104043D+01 -0.791053D+00 -0.162617D+01  0.157439D+01
               196           197           198           199           200 
      1   0.627713D+01  0.465475D+00  0.496217D+01  0.248463D+02 -0.368148D+01
      2  -0.284890D+01 -0.159307D+01 -0.340335D+01 -0.128658D+02 -0.285022D-01
      3  -0.342823D+01  0.112760D+01 -0.155883D+01 -0.119805D+02  0.370998D+01
      4  -0.636548D+00  0.308510D+01  0.827378D-01 -0.148302D+02  0.103115D+02
      5   0.953878D+01  0.851100D+00  0.113804D+00  0.130588D+02 -0.229724D+01
      6  -0.371276D+00  0.211970D+01  0.938346D+00 -0.470889D+01  0.803102D+00
               201           202           203           204           205 
      1   0.101241D+02 -0.484768D+00  0.234713D+01  0.656274D+00  0.170908D+02
      2  -0.581646D+01 -0.123552D+01 -0.486118D+00 -0.883463D+00 -0.100617D+02
      3  -0.430760D+01  0.172028D+01 -0.186101D+01  0.227189D+00 -0.702908D+01
      4  -0.606018D+01  0.770983D+01 -0.307059D+01  0.308823D+01 -0.100577D+02
      5   0.116354D+02 -0.390493D+00  0.305006D+01 -0.224881D+01  0.139026D+02
      6  -0.452474D+01  0.173505D+01 -0.141438D+01  0.377007D+01 -0.635427D+01
               206           207           208           209           210 
      1   0.314654D-01  0.721416D+01 -0.128654D+01  0.482776D+01 -0.283642D+01
      2  -0.229825D+01 -0.667078D+01  0.487450D+01 -0.895273D+01  0.390715D+01
      3   0.226678D+01 -0.543388D+00 -0.358796D+01  0.412497D+01 -0.107074D+01
      4   0.764274D+01 -0.947315D+01 -0.673422D+01  0.123312D+02 -0.470335D+01
      5  -0.536118D+01  0.130788D+02  0.229108D+01 -0.375510D+01  0.435089D+01
      6   0.402257D+01 -0.590404D+01 -0.495641D+01  0.694527D+01 -0.369349D+01
               211           212           213           214           215 
      1   0.326246D+01 -0.300178D+02  0.124428D+02 -0.350887D+01  0.201550D+02
      2  -0.673340D+01  0.458574D+02 -0.158964D+02  0.535094D+01 -0.251309D+02
      3   0.347094D+01 -0.158396D+02  0.345358D+01 -0.184206D+01  0.497590D+01
      4   0.851616D+01 -0.116798D+02  0.570462D+01 -0.533352D+01  0.850355D+01
      5  -0.230102D+01  0.461424D+01 -0.250750D+01  0.389006D+01 -0.458590D+01
      6   0.532917D+01 -0.247865D+02  0.177283D+02 -0.398990D+01  0.254771D+02
               216           217           218           219           220 
      1  -0.156036D+02 -0.971351D+00 -0.529912D+01 -0.323036D+01 -0.291404D+01
      2   0.129012D+02  0.325111D+01  0.111259D+02  0.510165D+01  0.605718D+01
      3   0.270240D+01 -0.227976D+01 -0.582676D+01 -0.187129D+01 -0.314314D+01
      4  -0.450306D+01  0.789980D+01  0.854881D+01  0.508714D+01  0.617999D+01
      5   0.432714D+01  0.297807D+01  0.194923D+01  0.384547D+01  0.149079D+01
      6  -0.200681D+02  0.558115D+01  0.596018D+01  0.488007D+01  0.508756D+01
               221           222           223           224           225 
      1  -0.161589D+02 -0.656897D+01 -0.575450D+01 -0.126729D+02 -0.115769D+02
      2   0.250429D+02  0.935455D+01  0.547877D+01  0.179667D+02  0.109136D+02
      3  -0.888397D+01 -0.278558D+01  0.275730D+00 -0.529375D+01  0.663304D+00
      4   0.653763D+01  0.421879D+01  0.675667D+01  0.546171D+01  0.465660D+01
      5   0.220101D+01  0.127827D+01  0.379424D+01  0.157160D+01  0.293375D+01
      6   0.110804D+02  0.129477D+02  0.588946D+01  0.176543D+02  0.167892D+02
               226           227           228           229           230 
      1   0.105147D+02 -0.598668D+00  0.471832D+01 -0.522272D+01 -0.224594D+01
      2  -0.791902D+01  0.426912D+00 -0.345142D+01  0.361792D+01  0.331003D+01
      3  -0.259568D+01  0.171757D+00 -0.126690D+01  0.160480D+01 -0.106410D+01
      4   0.187595D+01  0.159887D+01  0.279743D+01  0.212402D+01  0.346260D+01
      5   0.578096D+01  0.156151D+01  0.124170D+02  0.552674D+00  0.288710D+01
      6   0.225504D+01  0.716351D+00  0.376943D+01  0.114575D+01  0.429636D+00
               231           232           233           234           235 
      1  -0.315693D-02  0.149127D+02  0.141660D+01  0.560233D+01  0.674558D+02
      2   0.839975D+00 -0.879138D+01  0.165802D+01 -0.115754D+02 -0.390715D+02
      3  -0.836818D+00 -0.612129D+01 -0.307461D+01  0.597310D+01 -0.283842D+02
      4   0.344687D+01  0.960211D+01  0.102379D+02  0.572702D+01  0.706222D+01
      5  -0.165468D+00  0.185540D+02  0.409072D+01  0.378337D+02 -0.258189D+02
      6   0.381073D+01  0.614729D+01  0.539178D+01  0.167719D+02 -0.429693D+01
               236           237           238           239           240 
      1  -0.640366D+01 -0.186407D+02 -0.224671D+02  0.454833D+01  0.582309D+01
      2   0.580020D+01  0.128931D+02  0.139147D+02 -0.119056D+01 -0.529011D+01
      3   0.603457D+00  0.574759D+01  0.855240D+01 -0.335777D+01 -0.532983D+00
      4   0.973196D+01 -0.138812D+01  0.586682D+01 -0.308016D+01 -0.379265D+01
      5   0.229629D+01  0.185232D+02  0.813754D+01 -0.473764D+01 -0.681253D+01
      6  -0.843225D+00  0.419442D+01 -0.422198D+00 -0.142410D+00  0.563775D+00
               241           242           243           244           245 
      1  -0.266023D+02  0.242749D+01  0.125927D+02  0.204314D+01  0.539674D+01
      2   0.178232D+02 -0.395754D+01 -0.120534D+02  0.720841D+00 -0.446115D+01
      3   0.877909D+01  0.153004D+01 -0.539319D+00 -0.276398D+01 -0.935590D+00
      4  -0.382295D+01 -0.735726D+01  0.114033D+01  0.185370D+01  0.415246D+01
      5   0.221987D+02 -0.154574D+01 -0.133307D+02 -0.238002D+01 -0.422422D+00
      6   0.401298D+01  0.246100D+01 -0.142091D+01 -0.192051D+01  0.617483D+00
               246           247           248           249           250 
      1  -0.310054D+01  0.627261D+01 -0.208013D+02  0.479268D+01 -0.518162D+01
      2   0.177526D+01  0.296302D+01  0.447273D+02 -0.667686D+01  0.188717D+01
      3   0.132528D+01 -0.923563D+01 -0.239259D+02  0.188418D+01  0.329445D+01
      4  -0.102496D+01  0.178901D+02  0.479399D+02 -0.835288D+01 -0.458008D+01
      5   0.190360D+01 -0.237346D+01 -0.882444D+01  0.825929D+01  0.565103D+01
      6  -0.656547D+00 -0.277075D+01 -0.129147D+02  0.100278D+02  0.242830D+01
               251           252 
      1   0.526463D+01 -0.200348D+01
      2  -0.784898D+01  0.259961D+01
      3   0.258435D+01 -0.596128D+00
      4  -0.104896D+02  0.627681D+01
      5   0.634869D+01 -0.223789D+01
      6   0.979176D+01 -0.444188D+01
 Leave Link  716 at Fri Jul 16 21:49:41 2021, MaxMem=  5637144576 cpu:               5.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.130646D+03 -0.611004D-01  0.654658D+00
      2  -0.611004D-01  0.116445D+03 -0.138997D-01
      3   0.654658D+00 -0.138997D-01  0.112116D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.269618D+01  0.122088D+01  0.300592D+01
      2   0.307791D+01 -0.911312D+00  0.664379D+01
      3   0.414640D+01  0.299224D+01 -0.177088D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.503545D+01 -0.219604D+02  0.111876D+02
      2  -0.710957D+01  0.104710D+02 -0.429192D+01
      3   0.121450D+02  0.114894D+02 -0.689564D+01
      4  -0.308510D+02 -0.105624D+02  0.295621D+01
      5   0.188584D+02  0.191087D+01  0.177438D+02
      6   0.843340D+00  0.436745D+01 -0.456511D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144197D+01 -0.268033D+01  0.103445D+01 -0.317911D+01  0.319740D+00
      2  -0.268033D+01 -0.329918D+00  0.118197D+01  0.319740D+00  0.269030D+01
      3   0.103445D+01  0.118197D+01  0.290973D+01  0.167299D+01 -0.127011D+01
                 6             7             8             9            10 
      1   0.167299D+01  0.620666D+00  0.202989D+01  0.435817D+01 -0.439107D+00
      2  -0.127011D+01  0.202989D+01 -0.206732D+01 -0.222077D+01  0.335047D+01
      3  -0.162886D+01  0.435817D+01 -0.222077D+01 -0.402738D+00  0.131323D+01
                11            12            13            14            15 
      1   0.335047D+01  0.131323D+01  0.427196D+01  0.534035D+00  0.241353D+00
      2   0.129107D+01 -0.186585D+00  0.534035D+00 -0.495020D+01  0.447863D+00
      3  -0.186585D+00 -0.200215D+01  0.241353D+00  0.447863D+00  0.114606D+01
                16            17            18            19            20 
      1   0.206966D+01 -0.610062D-01 -0.240786D+01  0.721348D+00  0.137101D+01
      2  -0.610062D-01  0.143442D+01  0.123428D+01  0.137101D+01  0.634790D+00
      3  -0.240786D+01  0.123428D+01 -0.626774D+01 -0.722813D+00 -0.315810D+01
                21            22            23            24            25 
      1  -0.722813D+00  0.193683D+01  0.602102D+00 -0.312168D+01 -0.604400D+00
      2  -0.315810D+01  0.602102D+00 -0.409116D+01  0.145477D+01 -0.370741D+01
      3  -0.661443D+00 -0.312168D+01  0.145477D+01 -0.256477D+01 -0.773056D+00
                26            27            28            29            30 
      1  -0.370741D+01 -0.773056D+00 -0.306185D+01 -0.241368D+01  0.866145D+00
      2   0.194144D+01 -0.409747D+01 -0.241368D+01 -0.228824D+01  0.445918D+01
      3  -0.409747D+01 -0.384585D+00  0.866145D+00  0.445918D+01 -0.147119D+01
                31            32            33            34            35 
      1  -0.269747D+01 -0.199526D+01  0.458627D+01  0.997034D+00  0.521805D+01
      2  -0.199526D+01  0.134302D+01  0.760019D+00  0.521805D+01 -0.683634D+00
      3   0.458627D+01  0.760019D+00  0.267551D+01 -0.172180D+01  0.206439D+01
                36            37            38            39            40 
      1  -0.172180D+01  0.528072D+01  0.470261D+01  0.300626D+01  0.557029D+01
      2   0.206439D+01  0.470261D+01  0.178922D+01 -0.164721D+01  0.262566D+01
      3  -0.810061D+00  0.300626D+01 -0.164721D+01  0.736340D+00 -0.227791D+01
                41            42            43            44            45 
      1   0.262566D+01 -0.227791D+01  0.442973D+01 -0.198760D+01  0.287774D+00
      2  -0.327481D+01  0.289545D+01 -0.198760D+01  0.450766D+01 -0.266545D+01
      3   0.289545D+01 -0.240731D+01  0.287774D+00 -0.266545D+01 -0.185888D+01
                46            47            48            49            50 
      1  -0.394138D+01 -0.308548D+01 -0.257966D+01 -0.361393D+01 -0.140964D+00
      2  -0.308548D+01 -0.382505D+00 -0.195394D+00 -0.140964D+00  0.895764D+01
      3  -0.257966D+01 -0.195394D+00 -0.142586D+01 -0.180915D+00 -0.979447D+00
                51            52            53            54            55 
      1  -0.180915D+00 -0.543990D+01 -0.547010D+00 -0.199288D+00  0.171724D+01
      2  -0.979447D+00 -0.547010D+00 -0.755249D+00 -0.176059D+01 -0.224980D+00
      3  -0.251700D+01 -0.199288D+00 -0.176059D+01  0.356624D+01  0.357552D+01
                56            57            58            59            60 
      1  -0.224980D+00  0.357552D+01 -0.481474D+00 -0.178976D+01 -0.322233D+01
      2  -0.168181D+01 -0.340215D+01 -0.178976D+01 -0.136025D+01 -0.146786D+01
      3  -0.340215D+01  0.788912D+00 -0.322233D+01 -0.146786D+01  0.244060D+01
                61            62            63            64            65 
      1   0.289796D+01 -0.250208D+01  0.672681D+00 -0.297931D+01  0.172007D+01
      2  -0.250208D+01 -0.129460D+01  0.200639D+01  0.172007D+01 -0.133809D+01
      3   0.672681D+00  0.200639D+01 -0.501268D-01  0.170008D+01 -0.103548D+01
                66            67            68            69            70 
      1   0.170008D+01  0.183266D+01 -0.164689D+01 -0.120244D+01  0.316671D+01
      2  -0.103548D+01 -0.164689D+01  0.237408D+01  0.186784D+01 -0.181690D+01
      3  -0.188236D+01 -0.120244D+01  0.186784D+01  0.169669D+01 -0.309178D+01
                71            72            73            74            75 
      1  -0.181690D+01 -0.309178D+01  0.234321D+01 -0.365727D+01 -0.276370D+01
      2   0.276735D+01  0.240392D+01 -0.365727D+01 -0.165051D+01  0.692474D+00
      3   0.240392D+01  0.418068D+01 -0.276370D+01  0.692474D+00  0.248567D+01
                76            77            78            79            80 
      1  -0.514994D+01 -0.245785D+00  0.530350D+00 -0.337442D+01  0.358735D+00
      2  -0.245785D+00  0.657424D+01 -0.203805D+01  0.358735D+00 -0.220737D+01
      3   0.530350D+00 -0.203805D+01 -0.532429D+00  0.323387D+01 -0.489517D-03
                81            82            83            84            85 
      1   0.323387D+01  0.666904D+00 -0.535550D+00  0.952776D+00 -0.857614D+00
      2  -0.489517D-03 -0.535550D+00 -0.104110D+00 -0.194391D-01 -0.205075D+00
      3   0.494569D+01  0.952776D+00 -0.194391D-01  0.604317D+00  0.926252D-01
                86            87            88            89            90 
      1  -0.205075D+00  0.926252D-01  0.222731D+01  0.324208D+00  0.410541D+00
      2  -0.384322D+00  0.110387D+01  0.324208D+00  0.131228D+01 -0.120684D+01
      3   0.110387D+01 -0.114471D+01  0.410541D+00 -0.120684D+01  0.777699D+01
                91            92            93            94            95 
      1   0.590331D+01  0.306281D+01 -0.249086D+01  0.255421D+01  0.221759D+01
      2   0.306281D+01  0.303219D+01 -0.193341D+01  0.221759D+01  0.352816D+01
      3  -0.249086D+01 -0.193341D+01  0.233588D+01 -0.161731D+01 -0.160011D+01
                96            97            98            99           100 
      1  -0.161731D+01 -0.203286D+01 -0.163645D+01  0.217357D+01 -0.194620D+01
      2  -0.160011D+01 -0.163645D+01 -0.148634D+01  0.157693D+01 -0.470802D+01
      3   0.132350D+01  0.217357D+01  0.157693D+01 -0.252261D+01 -0.321799D+01
               101           102           103           104           105 
      1  -0.470802D+01 -0.321799D+01 -0.522033D+01 -0.187314D+01  0.119175D+01
      2  -0.120425D+01  0.938735D+00 -0.187314D+01  0.121652D+01 -0.410204D+01
      3   0.938735D+00  0.492849D+00  0.119175D+01 -0.410204D+01  0.276623D+01
               106           107           108           109           110 
      1  -0.300151D+01  0.140946D+01  0.392238D+00 -0.295536D+01 -0.437913D+01
      2   0.140946D+01 -0.343622D+01  0.253338D+01 -0.437913D+01 -0.114318D+01
      3   0.392238D+00  0.253338D+01  0.925951D+00 -0.200762D+01  0.122823D+01
               111           112           113           114           115 
      1  -0.200762D+01 -0.535304D+01 -0.274464D+01  0.157252D+01 -0.217350D+01
      2   0.122823D+01 -0.274464D+01  0.348268D+01 -0.263592D+01  0.132597D+01
      3   0.242211D+00  0.157252D+01 -0.263592D+01  0.283868D+01 -0.546064D+00
               116           117           118           119           120 
      1   0.132597D+01 -0.546064D+00  0.988235D-01 -0.103218D+01  0.461328D+00
      2  -0.313352D+01  0.337733D+01 -0.103218D+01  0.562791D+00 -0.119370D+00
      3   0.337733D+01  0.429300D+01  0.461328D+00 -0.119370D+00  0.125248D+00
               121           122           123           124           125 
      1  -0.178378D+01 -0.307127D+00  0.127328D+00  0.817639D+00  0.104775D+00
      2  -0.307127D+00 -0.107646D+02  0.135128D+00  0.104775D+00  0.357353D+00
      3   0.127328D+00  0.135128D+00 -0.999948D+00 -0.981467D-01 -0.111017D+01
               126           127           128           129           130 
      1  -0.981467D-01  0.216221D+01 -0.101566D+01 -0.196763D+01 -0.122086D+01
      2  -0.111017D+01 -0.101566D+01  0.129827D+01  0.124950D+01  0.103389D+01
      3  -0.623836D-01 -0.196763D+01  0.124950D+01  0.285713D+01  0.114417D+01
               131           132           133           134           135 
      1   0.103389D+01  0.114417D+01 -0.181802D+01  0.914443D+00  0.202188D+01
      2  -0.176053D+01 -0.171353D+01  0.914443D+00 -0.160137D+01 -0.220820D+01
      3  -0.171353D+01 -0.285878D+01  0.202188D+01 -0.220820D+01 -0.589890D+01
               136           137           138           139           140 
      1  -0.483290D+01  0.365952D+00 -0.309471D+01  0.935796D+00 -0.657668D+00
      2   0.365952D+00 -0.916774D+00  0.646774D+00 -0.657668D+00  0.681311D+00
      3  -0.309471D+01  0.646774D+00 -0.388318D+01  0.996054D+00 -0.725610D+00
               141           142           143           144           145 
      1   0.996054D+00 -0.232812D+01  0.470185D+00 -0.231106D+01 -0.353568D+01
      2  -0.725610D+00  0.470185D+00 -0.554587D+00  0.150243D+00  0.170595D+01
      3   0.970217D+00 -0.231106D+01  0.150243D+00 -0.406300D+01  0.111977D+01
               146           147           148           149           150 
      1   0.170595D+01  0.111977D+01  0.210146D+01 -0.959703D+00 -0.633340D+00
      2  -0.143721D+01 -0.974255D+00 -0.959703D+00  0.163974D+01  0.142729D+01
      3  -0.974255D+00 -0.266563D+01 -0.633340D+00  0.142729D+01  0.155212D+01
               151           152           153           154           155 
      1   0.140801D+01 -0.726102D+00 -0.126092D+01  0.642783D+01  0.290201D+01
      2  -0.726102D+00  0.130919D+01  0.898758D+00  0.290201D+01  0.236381D+01
      3  -0.126092D+01  0.898758D+00  0.227780D+01  0.267386D+01  0.106462D+01
               156           157           158           159           160 
      1   0.267386D+01  0.368396D+01  0.242434D+01  0.129498D+01  0.848307D+00
      2   0.106462D+01  0.242434D+01  0.245528D+01  0.160861D+01  0.300318D+00
      3   0.244315D+01  0.129498D+01  0.160861D+01  0.131652D+01  0.112199D+01
               161           162           163           164           165 
      1   0.300318D+00  0.112199D+01  0.103941D+01 -0.320047D+00  0.129049D+01
      2   0.627214D+00  0.497187D+00 -0.320047D+00  0.619487D+00 -0.426446D+00
      3   0.497187D+00  0.937345D+00  0.129049D+01 -0.426446D+00  0.808604D+00
               166           167           168           169           170 
      1  -0.127299D+01  0.130644D+01 -0.139617D+01  0.125176D+01 -0.710217D+00
      2   0.130644D+01 -0.401191D+01  0.323605D+01 -0.710217D+00  0.218270D+01
      3  -0.139617D+01  0.323605D+01 -0.468662D+01  0.114538D+01 -0.248555D+01
               171           172           173           174           175 
      1   0.114538D+01  0.173764D+00  0.240840D+00 -0.776632D+00 -0.467712D-01
      2  -0.248555D+01  0.240840D+00  0.662239D-01  0.114862D+00  0.765780D+00
      3   0.457123D+01 -0.776632D+00  0.114862D+00  0.323689D+00  0.300344D+00
               176           177           178           179           180 
      1   0.765780D+00  0.300344D+00 -0.242299D+01  0.876734D+00  0.134000D+01
      2  -0.160184D+01 -0.106057D+01  0.876734D+00 -0.166966D+01 -0.219461D+01
      3  -0.106057D+01 -0.187723D+01  0.134000D+01 -0.219461D+01 -0.633447D+01
               181           182           183           184           185 
      1   0.161908D+01 -0.828130D+00  0.711205D+00 -0.227955D+01  0.305179D+01
      2  -0.828130D+00  0.890974D+00 -0.466211D+00  0.305179D+01 -0.649149D+01
      3   0.711205D+00 -0.466211D+00  0.288309D+00 -0.947201D+00  0.219445D+01
               186           187           188           189           190 
      1  -0.947201D+00  0.223752D+01 -0.163412D+01  0.109084D+01  0.907326D+01
      2   0.219445D+01 -0.163412D+01  0.327578D+01 -0.207092D+01  0.191411D+01
      3  -0.206900D+01  0.109084D+01 -0.207092D+01  0.166985D+01  0.276371D+00
               191           192           193           194           195 
      1   0.191411D+01  0.276371D+00  0.535529D+01  0.202116D+01 -0.128736D+00
      2   0.166395D+01  0.326576D-01  0.202116D+01  0.142864D+01  0.334298D+00
      3   0.326576D-01  0.941428D+00 -0.128736D+00  0.334298D+00  0.606473D+00
               196           197           198           199           200 
      1   0.100757D+01 -0.745989D-01  0.110461D+01 -0.462536D+01  0.102662D+01
      2  -0.745989D-01  0.515169D+00 -0.724826D-02  0.102662D+01 -0.132703D+01
      3   0.110461D+01 -0.724826D-02 -0.902590D-01 -0.206498D+01  0.380918D+00
               201           202           203           204           205 
      1  -0.206498D+01  0.647769D+00 -0.823765D+00  0.103746D+00 -0.357859D+01
      2   0.380918D+00 -0.823765D+00  0.162611D+00 -0.426969D+00  0.317370D+00
      3  -0.180615D+01  0.103746D+00 -0.426969D+00  0.391828D+00 -0.214922D+01
               206           207           208           209           210 
      1   0.317370D+00 -0.214922D+01 -0.124152D+01  0.133307D+01 -0.667212D+00
      2  -0.144211D+01  0.924924D+00  0.133307D+01 -0.174798D+01  0.102260D+01
      3   0.924924D+00 -0.247519D+01 -0.667212D+00  0.102260D+01 -0.427139D+00
               211           212           213           214           215 
      1   0.111311D+01 -0.133576D+01  0.745406D+00 -0.120976D+01  0.131577D+01
      2  -0.133576D+01  0.769414D+01 -0.301595D+01  0.131577D+01 -0.496763D+01
      3   0.745406D+00 -0.301595D+01  0.222591D+01 -0.516215D+00  0.345237D+01
               216           217           218           219           220 
      1  -0.516215D+00  0.170594D+01  0.926735D+00  0.113270D+01  0.841232D+00
      2   0.345237D+01  0.926735D+00  0.200117D+01  0.117291D+01  0.108830D+01
      3  -0.301209D+01  0.113270D+01  0.117291D+01  0.124611D+01  0.793968D+00
               221           222           223           224           225 
      1   0.108830D+01  0.793968D+00  0.169311D+01  0.108075D+01  0.120580D+01
      2   0.430948D+01  0.181056D+01  0.108075D+01  0.333653D+01  0.270200D+01
      3   0.181056D+01  0.186287D+01  0.120580D+01  0.270200D+01  0.334390D+01
               226           227           228           229           230 
      1  -0.148794D+01  0.156548D+00 -0.902926D+00  0.809023D+00 -0.273284D+00
      2   0.156548D+00 -0.882967D-01 -0.212038D+00 -0.273284D+00 -0.667025D+00
      3  -0.902926D+00 -0.212038D+00 -0.137946D+01 -0.881955D-01 -0.538690D+00
               231           232           233           234           235 
      1  -0.881955D-01 -0.306616D+01 -0.100947D+01 -0.230079D+01 -0.910185D+01
      2  -0.538690D+00 -0.100947D+01 -0.156789D+01 -0.658880D+00  0.547905D+00
      3   0.661139D-01 -0.230079D+01 -0.658880D+00 -0.622553D+01  0.275105D+01
               236           237           238           239           240 
      1   0.547905D+00  0.275105D+01  0.340584D+01 -0.942829D+00 -0.862142D+00
      2  -0.115017D+01 -0.305363D+00 -0.942829D+00  0.305639D+00  0.662008D+00
      3  -0.305363D+00 -0.195673D+01 -0.862142D+00  0.662008D+00  0.823205D+00
               241           242           243           244           245 
      1   0.425890D+01 -0.707409D-01 -0.250718D+01 -0.226574D+00 -0.446238D+00
      2  -0.707409D-01  0.115211D+01  0.183291D+00 -0.446238D+00  0.576122D+00
      3  -0.250718D+01  0.183291D+00  0.146568D+01  0.391497D+00 -0.103982D+00
               246           247           248           249           250 
      1   0.391497D+00 -0.190257D+01 -0.204918D+01  0.284514D+00  0.111834D+01
      2  -0.103982D+00 -0.204918D+01 -0.948534D+01  0.163666D+01  0.437040D+00
      3  -0.682586D-01  0.284514D+00  0.163666D+01 -0.141586D+01 -0.675967D+00
               251           252 
      1   0.437040D+00 -0.675967D+00
      2   0.214829D+01 -0.131822D+01
      3  -0.131822D+01  0.504199D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.439985D+01 -0.328067D+01 -0.352074D+01 -0.372299D+01  0.655765D+01
      2  -0.324870D+01 -0.226438D+01 -0.660828D+01 -0.285552D+01  0.300905D+01
      3  -0.744745D+01 -0.916336D+01  0.588582D+01 -0.299085D+01  0.622534D+01
                 6             7             8             9            10 
      1   0.107640D+01 -0.467564D+01  0.565112D+01 -0.329702D+00  0.393396D+01
      2   0.423263D+01 -0.150138D+02  0.515223D+01  0.720244D-01 -0.320857D+01
      3  -0.542901D-01  0.732909D+01 -0.631255D+00  0.613016D+00  0.782041D+01
                11            12            13            14            15 
      1   0.234344D+01 -0.138022D+01  0.184186D+01 -0.367903D+01 -0.996043D+00
      2  -0.108015D+01  0.449600D+01 -0.163310D+01 -0.222543D+01 -0.195044D+01
      3  -0.442013D+01 -0.217032D+01  0.277934D+01 -0.108495D+02  0.123874D+01
                16            17            18            19            20 
      1  -0.523283D+00  0.588207D+01 -0.458401D+01  0.211081D+01  0.100520D+02
      2   0.108276D+01 -0.214607D+01  0.145989D+02 -0.217586D+01  0.121497D+01
      3  -0.235239D+01  0.272913D+01  0.198420D+01  0.280690D+01  0.380171D+01
                21            22            23            24            25 
      1   0.263026D+01  0.976886D+01 -0.319041D+01  0.578367D+01  0.412997D+01
      2   0.186301D+01  0.156998D+01  0.144977D+00 -0.490651D+00 -0.215910D+01
      3  -0.250536D+01  0.101728D+02  0.435646D+00 -0.809623D+01 -0.309738D+01
                26            27            28            29            30 
      1   0.140793D+02  0.360468D+01  0.110350D+01 -0.700855D+01 -0.476910D+01
      2  -0.145643D+01  0.155006D+01 -0.420243D+00  0.372206D+01  0.133203D+01
      3  -0.894229D+01 -0.265694D+01  0.188773D+01 -0.501532D+01 -0.182599D+01
                31            32            33            34            35 
      1  -0.658971D+01 -0.281378D+01 -0.718830D+01 -0.343443D+01 -0.643981D+00
      2   0.323349D+01  0.234758D+00  0.784849D+01 -0.487419D+01  0.973670D+01
      3   0.783581D+00 -0.383656D+01  0.566795D+01 -0.394849D+01  0.710718D+01
                36            37            38            39            40 
      1  -0.287072D+01  0.426030D+01  0.194128D+00 -0.110630D+00  0.191899D+01
      2  -0.176044D+01  0.484705D+01 -0.419362D+01  0.379759D+01 -0.582761D+01
      3  -0.349235D+01 -0.116797D+02 -0.106602D+02  0.172473D+01 -0.262216D+01
                41            42            43            44            45 
      1   0.855594D+00 -0.421590D+01 -0.880623D+00  0.430815D+01 -0.336610D+01
      2   0.655717D+01 -0.616741D+01 -0.643041D+01 -0.644105D+01 -0.598484D+01
      3   0.397543D+01 -0.496657D+01  0.106764D+01 -0.847035D+01  0.647213D+01
                46            47            48            49            50 
      1  -0.540923D+01 -0.548706D+00 -0.104946D+01  0.402667D+00 -0.547400D-01
      2  -0.212639D+01 -0.125069D+01  0.701461D+00 -0.310267D+00  0.279817D+00
      3   0.463121D+01  0.250007D+01  0.288593D+01  0.999796D+01  0.335110D+01
                51            52            53            54            55 
      1  -0.681221D+01 -0.294149D+01 -0.158141D+01  0.880579D+01  0.244854D+01
      2   0.216924D+01 -0.568128D+01 -0.401703D+00 -0.234890D+01  0.552729D+01
      3   0.461216D+00  0.608353D+01  0.268382D+00 -0.604437D+00 -0.493020D+00
                56            57            58            59            60 
      1   0.543192D+01  0.980911D+01  0.217544D+01  0.264920D+01  0.445013D+01
      2  -0.218898D+01  0.135549D+02 -0.208559D+01 -0.700137D+01 -0.103083D+02
      3  -0.144191D+01 -0.240680D+01  0.283147D+01  0.129378D+01  0.171713D+01
                61            62            63            64            65 
      1   0.869215D+01  0.759612D+01 -0.719000D+01 -0.168238D+01  0.333092D+00
      2   0.596996D+01 -0.733824D+01  0.664565D+00 -0.191837D+01  0.163026D+01
      3  -0.133621D+01  0.178280D+01  0.519305D-02 -0.122660D+01 -0.205158D+01
                66            67            68            69            70 
      1   0.296896D+01  0.146663D+01 -0.112909D+01 -0.318110D+01  0.378427D+01
      2   0.497291D+01  0.121459D+01 -0.347707D+01 -0.390328D+01  0.280535D+01
      3   0.127725D+00  0.187336D+01  0.258687D+01  0.132572D+01  0.197621D+01
                71            72            73            74            75 
      1   0.396400D+00 -0.603992D+01 -0.561319D+01 -0.464208D+00  0.379794D+01
      2  -0.410278D+01 -0.838888D+01  0.100479D+02 -0.358793D+00 -0.567086D+01
      3   0.458686D+01  0.181883D+00 -0.167008D+02 -0.119509D+01  0.630054D+01
                76            77            78            79            80 
      1   0.149837D-01 -0.305996D+01 -0.222011D+01  0.547006D+01  0.172747D+01
      2  -0.400536D+00  0.682242D+01  0.115776D+01 -0.130059D+02 -0.135003D+01
      3   0.990804D+01  0.233195D+02 -0.809637D+01  0.620539D+01 -0.739234D+01
                81            82            83            84            85 
      1   0.755987D+01  0.458117D+00 -0.193224D+00  0.731638D+00 -0.142974D+00
      2  -0.173801D+02 -0.359837D+01  0.565099D-01 -0.144551D+01  0.464024D+00
      3  -0.448425D+01 -0.211567D+01 -0.222890D+00 -0.411458D+00  0.248046D+01
                86            87            88            89            90 
      1   0.502279D+00 -0.825263D+00  0.109404D+01  0.325041D+01  0.455247D+01
      2  -0.156198D+01  0.146240D+01 -0.729806D+01  0.125725D+01 -0.140725D+02
      3   0.485090D+00  0.191991D+01 -0.150510D+01  0.223581D+01 -0.145965D+01
                91            92            93            94            95 
      1  -0.408540D+00 -0.186992D+01 -0.211740D+01 -0.401989D+00 -0.268911D+01
      2   0.430663D+01  0.794961D+00  0.277424D+01  0.188100D+01  0.711636D+00
      3   0.561724D+01 -0.277411D+01 -0.726863D+00  0.347559D+01 -0.179441D+01
                96            97            98            99           100 
      1  -0.187453D+01 -0.964414D+00  0.188497D+01  0.256365D+01 -0.100305D+02
      2   0.980410D+00 -0.188931D+01 -0.448279D+00 -0.155333D+01 -0.226756D+01
      3  -0.482237D+00 -0.197535D+01  0.247439D+00  0.120458D+01  0.883476D+01
               101           102           103           104           105 
      1  -0.195584D+01  0.180683D+01 -0.517342D+01  0.250927D+01 -0.131396D+02
      2   0.119901D+02  0.117065D+02  0.140733D+02 -0.442080D+01  0.291743D+01
      3  -0.505058D+00 -0.260148D+01  0.469703D+01 -0.242853D+01  0.820456D+01
               106           107           108           109           110 
      1   0.374388D+01 -0.633506D+01  0.595343D+01 -0.678485D+00  0.173513D+01
      2   0.598437D+01  0.158372D+01  0.377606D+00 -0.645855D+01  0.239414D+01
      3  -0.357529D+01  0.670818D+01 -0.461781D+01  0.182895D+02  0.870669D+01
               111           112           113           114           115 
      1  -0.383137D+00  0.252908D+01 -0.442466D+01  0.318068D+01 -0.219598D+01
      2   0.147905D+01  0.217907D+01 -0.878111D+01  0.108491D+02 -0.610250D+01
      3  -0.179536D+01  0.172362D+02 -0.913783D+01  0.642687D+01 -0.161257D+01
               116           117           118           119           120 
      1   0.777438D+01  0.570838D+01  0.119423D+01 -0.150686D+00 -0.404508D-01
      2   0.123938D+02  0.160427D+02 -0.428323D+00 -0.135967D+00  0.101036D+01
      3   0.697460D+01 -0.105927D+02 -0.127511D+00 -0.523978D+00 -0.595833D+00
               121           122           123           124           125 
      1   0.363863D+00  0.250826D+01 -0.594761D+01  0.171210D+00 -0.228330D+00
      2  -0.980211D-01 -0.651349D+00  0.323911D+00 -0.157647D+01  0.180978D+00
      3   0.779266D+01 -0.139379D+01 -0.155460D+00 -0.147962D+01 -0.232531D+00
               126           127           128           129           130 
      1  -0.120698D-01  0.222690D+01 -0.432604D+01 -0.179862D+01 -0.262538D+01
      2   0.656540D-02  0.756183D+01 -0.272296D+01 -0.263797D+01 -0.422006D+01
      3  -0.373293D-01 -0.161000D+01 -0.626189D+00  0.667569D+00  0.251126D+01
               131           132           133           134           135 
      1   0.415485D+01  0.718774D+00 -0.190089D+01  0.454308D+01  0.263271D+01
      2   0.252986D+01  0.235581D+01 -0.670823D+01  0.241180D+01  0.262370D+01
      3  -0.165427D+00 -0.201135D+00  0.142720D+01  0.564562D+00 -0.581987D+00
               136           137           138           139           140 
      1  -0.182395D+01  0.462517D+01 -0.256070D+01  0.184537D+01 -0.251102D+01
      2  -0.151831D+02  0.104788D+01 -0.415319D+01  0.308517D+01 -0.153210D+01
      3   0.121205D+01 -0.286109D+01  0.121456D+01  0.614323D+00  0.672537D+00
               141           142           143           144           145 
      1  -0.695314D-01 -0.168279D+01  0.294137D+01 -0.101985D+01  0.411266D+01
      2   0.202231D+01 -0.724774D+01  0.964395D+00 -0.399265D+01  0.141551D+02
      3  -0.275662D+00  0.360775D+00 -0.180414D+01  0.893421D+00 -0.544508D+01
               146           147           148           149           150 
      1  -0.505587D+01 -0.363831D+00 -0.350249D+01  0.471446D+01  0.666134D+00
      2  -0.588551D+01 -0.459159D+01 -0.726316D+01  0.488589D+01  0.304284D+01
      3   0.176799D+01  0.158172D+01  0.429187D+01 -0.257703D+01 -0.206560D+01
               151           152           153           154           155 
      1  -0.136770D+01  0.357536D+01  0.866597D+00  0.602877D+01  0.576482D+01
      2  -0.727539D+01  0.331253D+01  0.504274D+01 -0.874207D+01 -0.395372D+01
      3   0.224168D+01 -0.129697D+01 -0.174201D+01 -0.244306D+01 -0.587214D+01
               156           157           158           159           160 
      1   0.591683D+00  0.452174D+01  0.520844D+01  0.115031D+01  0.652913D+00
      2   0.206042D+01 -0.629460D+01 -0.181556D+01  0.891943D+00 -0.178217D+01
      3  -0.162610D+01 -0.113602D+01 -0.486351D+01 -0.230845D+01 -0.522854D-01
               161           162           163           164           165 
      1   0.225776D+01  0.835946D+00 -0.514738D+00  0.184660D+01 -0.800206D+00
      2  -0.476721D+00 -0.674173D+00  0.609837D+00 -0.340378D+00  0.261718D+00
      3  -0.109999D+01 -0.396254D+00  0.460661D+00 -0.188128D+01  0.934039D+00
               166           167           168           169           170 
      1   0.281371D+01 -0.105861D+02  0.460312D+01 -0.198048D+01  0.768739D+01
      2   0.177185D+01  0.335063D+01 -0.635286D+01 -0.279618D+01 -0.252309D+01
      3   0.510190D-02  0.715493D+01 -0.546692D+01  0.491015D+00 -0.431488D+01
               171           172           173           174           175 
      1  -0.548693D+01 -0.169050D+01  0.131866D+00 -0.218890D+00 -0.309935D-01
      2   0.552878D+01 -0.315244D+01  0.100289D+01  0.140353D+00  0.521649D+00
      3   0.438484D+01 -0.772343D-01 -0.111094D+01  0.656077D+00 -0.610178D+00
               176           177           178           179           180 
      1   0.284817D+00 -0.314262D+01  0.576125D-01  0.682869D+00 -0.827884D+01
      2  -0.247467D+01 -0.584184D+01 -0.224101D+01 -0.566676D+01 -0.204098D+02
      3   0.333744D+01  0.258891D+01  0.161486D+01  0.449586D+01  0.572669D+01
               181           182           183           184           185 
      1   0.114537D+01 -0.919353D+00  0.813109D+00 -0.178205D+01  0.356816D+01
      2   0.238274D+01 -0.179015D+01  0.218757D+01 -0.241511D+01  0.743938D+01
      3   0.103632D+01 -0.366161D+01  0.653167D+00 -0.358002D+01  0.164748D+02
               186           187           188           189           190 
      1  -0.613148D+01  0.113520D+01 -0.177459D+01  0.378700D+01 -0.334535D+00
      2  -0.759878D+01  0.160966D+01 -0.590164D+01  0.529363D+01  0.292537D+01
      3  -0.555542D+01  0.679359D+00 -0.854438D+01  0.507363D+01 -0.153408D+02
               191           192           193           194           195 
      1  -0.399593D+00  0.373818D+00 -0.501593D+00 -0.156542D+00 -0.101955D+01
      2   0.103490D+01  0.601128D+01  0.100152D+01  0.170543D+01  0.314307D+01
      3  -0.103817D+02 -0.491215D+00 -0.904943D+01 -0.797929D+01 -0.112855D+01
               196           197           198           199           200 
      1   0.846916D+00  0.391358D+00 -0.243786D+00  0.342048D+01  0.387927D+00
      2   0.176976D+01 -0.188596D+00  0.437458D-01  0.490050D+01 -0.910599D+00
      3  -0.450873D+00 -0.192939D+01 -0.824751D+00 -0.459463D+01 -0.385810D+01
               201           202           203           204           205 
      1   0.310297D+01 -0.110415D+00  0.421496D+00 -0.165246D+01  0.280908D+01
      2   0.688619D+01 -0.105667D+00  0.114366D+01 -0.981999D+00  0.373808D+01
      3  -0.228354D+01  0.648639D+00 -0.176345D+01 -0.512728D+00 -0.504185D+01
               206           207           208           209           210 
      1   0.523883D-03  0.459220D+01  0.105830D+01 -0.250434D+01  0.148780D+01
      2  -0.190327D+01  0.759920D+01 -0.835805D+00  0.238154D+00  0.121430D+01
      3  -0.404854D+01 -0.126278D+01 -0.336058D+01  0.771773D+00 -0.121727D+01
               211           212           213           214           215 
      1  -0.156056D+01  0.460672D+01 -0.745080D+01  0.145551D+00 -0.469131D+01
      2   0.104265D+01  0.143711D+00 -0.855020D+00 -0.203848D+01 -0.227016D-01
      3   0.477086D+01 -0.762465D+00  0.960062D+00 -0.434569D+01  0.135607D+01
               216           217           218           219           220 
      1   0.753327D+01 -0.353839D+01 -0.285731D+01 -0.468186D+01 -0.224914D+01
      2   0.678679D+00  0.151241D+00 -0.226295D+00  0.858445D+00 -0.848917D+00
      3   0.619014D-01  0.561809D+01  0.325886D+00  0.331794D+01  0.364717D+01
               221           222           223           224           225 
      1  -0.464546D+01 -0.654420D+01 -0.406730D+01 -0.512854D+01 -0.116032D+02
      2  -0.692142D+00  0.410114D+00 -0.225894D+01 -0.182935D+00 -0.871650D+00
      3   0.262210D+01  0.259957D+01  0.669776D+01  0.303484D+01  0.349155D+01
               226           227           228           229           230 
      1  -0.161968D+01  0.824715D-01 -0.212630D+01 -0.354779D+00 -0.737002D+00
      2   0.303403D+01  0.960066D+00  0.490661D+01  0.837671D+00  0.159452D+01
      3   0.214451D+01 -0.123841D+01  0.560363D+00 -0.295994D+00 -0.110048D+01
               231           232           233           234           235 
      1  -0.864548D+00 -0.269296D+01  0.209874D+01 -0.100560D+02  0.376037D+01
      2  -0.588025D+00  0.332845D+01  0.128075D+01  0.218149D+02 -0.498468D+01
      3  -0.118075D+01  0.135745D+01 -0.444216D+01  0.145809D+01  0.143096D+02
               236           237           238           239           240 
      1  -0.153114D+01 -0.244260D+01 -0.112801D+01  0.133979D+01  0.523852D+00
      2   0.969863D+00  0.828121D+01  0.116584D+01 -0.178164D+01 -0.319073D+01
      3  -0.743610D+01 -0.500075D+01 -0.550078D+01  0.301295D+01  0.310886D+01
               241           242           243           244           245 
      1  -0.272873D+01  0.213810D+01  0.148807D+01  0.481612D+00  0.136904D+00
      2   0.445033D+01 -0.784367D+00 -0.404380D+01 -0.137481D+01  0.237428D+00
      3  -0.579679D+01  0.498321D+01  0.374670D+01 -0.197665D+01  0.800527D+00
               246           247           248           249           250 
      1   0.250019D+00 -0.112290D+00 -0.196047D+00 -0.493543D+01 -0.726361D+00
      2   0.669543D+00  0.316393D+00 -0.413769D+01  0.442187D+01  0.316131D+00
      3  -0.844909D+00  0.592103D+00 -0.263236D+02  0.465210D+01 -0.962065D+00
               251           252 
      1  -0.257242D+00  0.590152D+00
      2   0.308879D+01 -0.782045D+00
      3   0.607430D+01 -0.254456D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.523989D+01  0.864345D+01 -0.108437D+02  0.654355D+01 -0.233968D+01
      2   0.370067D+01 -0.603948D+01  0.609636D+01 -0.446018D+01  0.473533D+01
      3   0.153922D+01 -0.260397D+01  0.474739D+01 -0.208337D+01 -0.239564D+01
      4   0.146905D+02 -0.496408D+01 -0.734100D-01 -0.814471D+01 -0.813459D+01
      5  -0.287107D+01 -0.483977D+01 -0.141364D+02 -0.679267D+01  0.505139D+01
      6  -0.341204D+00  0.684892D+01  0.810695D+01  0.702523D+01 -0.644463D+01
                 6             7             8             9            10 
      1  -0.892398D-03 -0.141369D+02 -0.163386D+01 -0.130066D+02 -0.828010D+00
      2  -0.137811D+01  0.948497D+01  0.225598D+01  0.676951D+01 -0.165118D+01
      3   0.137900D+01  0.465193D+01 -0.622111D+00  0.623705D+01  0.247919D+01
      4   0.750407D+01 -0.140978D+01  0.109459D+02  0.189367D+02 -0.191214D+02
      5   0.785322D+01 -0.215880D+02  0.129576D+02  0.346278D+01 -0.402611D+01
      6  -0.605463D+01  0.137755D+02 -0.737898D+01 -0.677145D+01 -0.433171D+00
                11            12            13            14            15 
      1  -0.108148D+02 -0.293732D+01 -0.148546D+02 -0.751593D+01 -0.239240D+01
      2   0.172189D+01  0.904981D+00  0.596672D+01  0.897259D+01  0.730711D+00
      3   0.909292D+01  0.203234D+01  0.888790D+01 -0.145665D+01  0.166169D+01
      4  -0.102421D+02 -0.210755D+01 -0.970954D+01  0.114236D+02 -0.524550D-01
      5   0.195449D+01  0.470527D+01  0.110365D+01 -0.770957D+00 -0.318432D+01
      6  -0.231963D+01  0.410117D+00 -0.102814D+01 -0.427982D+00 -0.187602D+01
                16            17            18            19            20 
      1  -0.183359D+01 -0.373690D+01  0.198108D+02 -0.342010D+01 -0.431201D+01
      2   0.943640D+00 -0.271783D+01  0.201024D+01  0.305964D+01  0.656013D-01
      3   0.889945D+00  0.645473D+01 -0.218210D+02  0.360458D+00  0.424641D+01
      4  -0.385725D+01 -0.424244D+01 -0.151028D+01  0.146745D+00 -0.391146D+01
      5   0.124537D+02 -0.251783D+01  0.141356D+02 -0.337734D+01  0.888229D+00
      6   0.164717D+01  0.106648D+01  0.118242D+02 -0.261951D+01 -0.143556D+02
                21            22            23            24            25 
      1   0.103332D+02 -0.668905D+01  0.178838D+02 -0.532387D+01  0.147602D+02
      2  -0.152899D+02  0.392067D+01 -0.209839D+02  0.666521D+01 -0.174762D+02
      3   0.495676D+01  0.276838D+01  0.310007D+01 -0.134134D+01  0.271597D+01
      4  -0.182116D+01  0.156438D+01  0.405380D+01 -0.128746D+02 -0.371484D+01
      5  -0.159420D+01  0.107493D+01 -0.689109D+01  0.141187D+00  0.775758D+00
      6   0.102466D+01 -0.136095D+02  0.117236D+02 -0.161322D+02 -0.279307D+01
                26            27            28            29            30 
      1  -0.813520D+01  0.156831D+02 -0.543753D+01 -0.202893D+01 -0.183139D+01
      2   0.960226D+01 -0.210714D+02  0.417932D+01  0.101013D+02  0.802882D+01
      3  -0.146705D+01  0.538831D+01  0.125821D+01 -0.807233D+01 -0.619743D+01
      4  -0.142516D+02 -0.321268D+01 -0.138838D+02 -0.132427D+02  0.125094D+02
      5  -0.713969D+00 -0.384173D+01  0.106373D+02  0.108144D+02 -0.104612D+02
      6  -0.254212D+02  0.146707D+01  0.808681D+01  0.115618D+02 -0.122344D+02
                31            32            33            34            35 
      1   0.911199D+00 -0.662955D+01  0.669814D+01 -0.223396D+01  0.125404D+02
      2   0.429334D+01  0.116938D+02 -0.459741D+01  0.691405D+01 -0.556221D+01
      3  -0.520454D+01 -0.506421D+01 -0.210074D+01 -0.468010D+01 -0.697822D+01
      4  -0.130130D+02 -0.703840D+01  0.601587D+01  0.179043D+02  0.682833D+01
      5   0.796098D+01  0.284095D+01 -0.334274D+01 -0.875377D+01 -0.328338D+01
      6   0.783709D+01  0.259574D+01 -0.591279D+01 -0.905267D+01  0.252943D+00
                36            37            38            39            40 
      1  -0.569859D+01  0.661037D+01  0.146364D+02  0.125875D+02  0.167905D+02
      2   0.781317D+01 -0.105664D+02 -0.971967D+01 -0.577114D+01 -0.884542D+01
      3  -0.211458D+01  0.395603D+01 -0.491678D+01 -0.681641D+01 -0.794512D+01
      4  -0.662357D+00  0.138909D+02  0.441105D+00 -0.931140D+01  0.282078D+01
      5  -0.402378D+00  0.137750D+02 -0.391331D+01  0.727268D+01 -0.234904D+01
      6  -0.293702D+00 -0.181362D+01  0.608560D+00  0.281922D+01  0.346420D+01
                41            42            43            44            45 
      1  -0.239106D+01 -0.141607D+01  0.143459D+02 -0.391491D+01  0.535330D+01
      2   0.107187D+01  0.541603D+01 -0.718033D+01  0.253110D+01 -0.920897D+00
      3   0.131919D+01 -0.399996D+01 -0.716555D+01  0.138381D+01 -0.443240D+01
      4  -0.458288D+01  0.920361D+01 -0.114939D+02  0.850586D+01 -0.104573D+02
      5   0.111005D+02 -0.659250D+01  0.438667D+01 -0.903833D+01 -0.457981D+01
      6  -0.993009D+00  0.695953D+01 -0.231031D+01  0.283828D+00 -0.220649D+01
                46            47            48            49            50 
      1  -0.750693D+01  0.572736D-01 -0.297081D+01  0.790697D+00  0.241976D+02
      2   0.451408D+01  0.419334D+01  0.429846D+01  0.697407D+00 -0.378009D+02
      3   0.299285D+01 -0.425062D+01 -0.132765D+01 -0.148810D+01  0.136033D+02
      4   0.355070D+01  0.275670D+01  0.273904D+01  0.325813D+01  0.181622D+01
      5  -0.569175D+01 -0.358574D+01 -0.332180D+01 -0.440242D+01 -0.710833D+01
      6   0.236569D-01  0.838669D+00 -0.427003D+01 -0.296075D+01 -0.286957D+01
                51            52            53            54            55 
      1  -0.669203D+01 -0.125119D+01 -0.168692D+01  0.338548D+00  0.557226D+01
      2  -0.346315D+00  0.394866D+01 -0.726748D+00  0.805794D+01  0.833485D+01
      3   0.703835D+01 -0.269747D+01  0.241366D+01 -0.839649D+01 -0.139071D+02
      4  -0.396524D+01  0.551944D+01  0.146095D+01  0.134305D+01  0.176491D+01
      5   0.133945D+01 -0.136450D+01  0.158964D+01 -0.161864D+01 -0.627753D+01
      6  -0.482626D+00  0.223961D+00  0.432287D+01 -0.195310D+01  0.774095D+00
                56            57            58            59            60 
      1  -0.709390D+01 -0.338739D+00 -0.649961D+01 -0.486699D+01  0.676319D+01
      2  -0.836365D+01  0.204344D+00 -0.760648D+01 -0.690823D+00  0.505278D+01
      3   0.154575D+02  0.134396D+00  0.141061D+02  0.555782D+01 -0.118160D+02
      4  -0.151435D+01 -0.186209D+01 -0.842998D+00  0.177507D+01  0.351714D+01
      5   0.138051D+01 -0.144142D+02  0.290107D+01  0.700451D+01  0.102579D+02
      6   0.388152D+01  0.157515D+02  0.733994D+01  0.897056D+00  0.210024D+01
                61            62            63            64            65 
      1  -0.297091D+01  0.677712D+00 -0.208017D+01  0.106433D+02 -0.436021D+01
      2  -0.134338D+01  0.810255D+01 -0.797440D+00 -0.566185D+01  0.511685D+00
      3   0.431428D+01 -0.878026D+01  0.287761D+01 -0.498148D+01  0.384852D+01
      4  -0.649516D+01 -0.395901D+00  0.450491D+01 -0.145250D+02  0.117361D+02
      5  -0.931933D+01  0.784812D+01  0.133303D+01 -0.117222D+02  0.640932D+01
      6   0.111147D+02 -0.132003D+01 -0.650986D+01  0.723362D+01 -0.619724D+01
                66            67            68            69            70 
      1  -0.375053D+01 -0.272782D+01 -0.364247D+01 -0.189778D+01 -0.666971D+01
      2   0.270658D+01 -0.113893D+01  0.834901D+01  0.281727D+01  0.527676D+01
      3   0.104396D+01  0.386676D+01 -0.470654D+01 -0.919480D+00  0.139295D+01
      4   0.818717D+01  0.135433D+02 -0.131326D+02 -0.104319D+02  0.139666D+02
      5   0.127407D+02  0.642167D+01 -0.868700D+01 -0.786371D+01  0.181643D+02
      6  -0.693261D+01 -0.719567D+01  0.105231D+02  0.104054D+02 -0.118513D+02
                71            72            73            74            75 
      1  -0.199991D+01  0.852504D-01 -0.220308D+02  0.175394D+02  0.191278D+02
      2   0.273301D+01 -0.631177D+01  0.224103D+02 -0.563179D+01 -0.118057D+02
      3  -0.733101D+00  0.622652D+01 -0.379482D+00 -0.119076D+02 -0.732218D+01
      4  -0.152412D+02 -0.153296D+02  0.218547D+02  0.144208D+02 -0.336553D+00
      5  -0.113523D+02 -0.199550D+02  0.226269D+02 -0.481897D+01 -0.160724D+02
      6   0.134856D+02  0.173547D+02  0.421693D+01 -0.586786D+00 -0.421002D+01
                76            77            78            79            80 
      1   0.300287D+02  0.214770D+02 -0.934009D+01  0.218794D+02 -0.640658D+01
      2  -0.177128D+02 -0.304720D+02  0.111194D+02 -0.108245D+02  0.104363D+02
      3  -0.123159D+02  0.899502D+01 -0.177935D+01 -0.110549D+02 -0.402974D+01
      4   0.961243D+01 -0.267768D+02  0.926761D+01  0.249863D+01  0.974091D+01
      5  -0.596384D+01  0.107942D+02  0.361506D+01 -0.229004D+02 -0.101146D-01
      6   0.463338D+00  0.124958D+02 -0.836804D+00 -0.676214D+01 -0.178306D+01
                81            82            83            84            85 
      1  -0.173678D+02 -0.530916D+00  0.224051D+01 -0.201284D+01  0.210322D+01
      2   0.120733D+02 -0.303348D+01 -0.619283D+00  0.312461D+00 -0.673601D+00
      3   0.529446D+01  0.356439D+01 -0.162123D+01  0.170038D+01 -0.142961D+01
      4  -0.341114D+01  0.180962D+01  0.289098D+01 -0.804541D+00  0.426308D+01
      5  -0.269848D+02  0.459415D+00 -0.448071D+00  0.556843D+01 -0.449297D+00
      6  -0.131438D+02 -0.969322D+00  0.644493D+00 -0.565009D+00  0.510492D+00
                86            87            88            89            90 
      1  -0.351941D+01  0.312414D+01 -0.509962D+01  0.309202D+01 -0.202013D+02
      2   0.106169D+01 -0.759786D+00  0.113829D+01  0.121636D+01 -0.129418D+02
      3   0.245772D+01 -0.236435D+01  0.396133D+01 -0.430838D+01  0.331431D+02
      4   0.708752D+00 -0.231675D+01 -0.297334D+01 -0.448305D+01  0.196016D+01
      5  -0.200236D+01  0.248593D+01  0.480104D+01  0.341001D+01 -0.172160D+02
      6  -0.359268D+01  0.788721D+01  0.261003D+00  0.655172D+01 -0.116349D+02
                91            92            93            94            95 
      1   0.155473D+02  0.353448D+01 -0.209049D+01  0.979782D+00 -0.396018D+01
      2  -0.824708D+01  0.101869D+01  0.288879D+01  0.244014D+01  0.975510D+01
      3  -0.730024D+01 -0.455317D+01 -0.798294D+00 -0.341993D+01 -0.579491D+01
      4   0.229852D+02  0.185005D+02 -0.113738D+02  0.156006D+02  0.161665D+02
      5  -0.193566D+02 -0.115649D+02  0.155048D+02 -0.878193D+01 -0.923014D+01
      6  -0.119454D+02 -0.110877D+02  0.999766D+01 -0.949165D+01 -0.132210D+02
                96            97            98            99           100 
      1   0.207423D+01 -0.125331D+01  0.180419D+01 -0.262702D+01 -0.287650D+01
      2  -0.148754D+01  0.239503D+01 -0.238010D+00 -0.513786D+01  0.443247D+01
      3  -0.586682D+00 -0.114172D+01 -0.156618D+01  0.776488D+01 -0.155597D+01
      4  -0.859346D+01 -0.956801D+01 -0.821817D+01  0.912036D+01 -0.192426D+02
      5   0.677020D+01  0.134740D+02  0.849929D+01 -0.115083D+02 -0.156940D+02
      6   0.101463D+02  0.930791D+01  0.101863D+02 -0.113291D+02 -0.164701D+02
               101           102           103           104           105 
      1  -0.196540D+02 -0.138768D+02 -0.232661D+02  0.253346D+01 -0.798065D+01
      2   0.445976D+01  0.282786D+01  0.567588D+01  0.879071D+01 -0.636901D+01
      3   0.151942D+02  0.110490D+02  0.175902D+02 -0.113242D+02  0.143497D+02
      4  -0.816051D+01 -0.201273D+01 -0.109775D+02  0.249147D+01 -0.144779D+02
      5  -0.115003D+02 -0.766025D+01 -0.118937D+02 -0.157517D+02  0.981623D+01
      6  -0.641017D+01  0.304791D+01 -0.964335D+01  0.697603D+01 -0.196795D+02
               106           107           108           109           110 
      1  -0.112959D+02 -0.345675D+01 -0.211714D+01 -0.241270D+02 -0.291724D+02
      2   0.271828D+01 -0.672797D+01 -0.519714D+01  0.171410D+02  0.178662D+02
      3   0.857758D+01  0.101847D+02  0.731428D+01  0.698604D+01  0.113061D+02
      4   0.250081D+01 -0.101299D+02  0.103257D+02 -0.274641D+02 -0.284636D+01
      5  -0.711242D+01  0.109668D+02  0.556044D+01 -0.102562D+02  0.736987D+01
      6   0.701958D+01 -0.137937D+02  0.134940D+02  0.614105D+01 -0.275217D+01
               111           112           113           114           115 
      1  -0.979845D+01 -0.381003D+02 -0.354890D+01  0.190343D+01 -0.103570D+02
      2   0.208117D+01  0.246119D+02 -0.731173D+01  0.661593D+01  0.795623D+00
      3   0.771728D+01  0.134884D+02  0.108606D+02 -0.851936D+01  0.956135D+01
      4   0.797365D+01 -0.107612D+02  0.170674D+02 -0.151022D+02  0.968708D+01
      5   0.859522D+00  0.884827D+01 -0.138036D+02  0.151725D+02 -0.261427D+01
      6   0.299292D+00 -0.450409D+01  0.907215D+01 -0.853371D+01  0.384121D+01
               116           117           118           119           120 
      1   0.159500D+01  0.664944D+01  0.559627D-01  0.182016D+01 -0.415977D+00
      2   0.865893D+01 -0.663691D+01  0.377623D+01 -0.262731D+01 -0.500977D+00
      3  -0.102539D+02 -0.125318D-01 -0.383220D+01  0.807150D+00  0.916953D+00
      4  -0.159824D+02  0.162448D+02 -0.120971D+00  0.998631D+01 -0.957575D+00
      5   0.174166D+02  0.207904D+02  0.488021D+00  0.432455D+00  0.280458D+01
      6  -0.807485D+01 -0.876413D+01  0.165231D+00 -0.223055D+00 -0.117507D+00
               121           122           123           124           125 
      1   0.545627D+00 -0.293513D+02 -0.484186D+00 -0.639474D+00  0.468162D+00
      2   0.118685D+01  0.535705D+02 -0.690883D+00 -0.851048D+00 -0.190295D+01
      3  -0.173248D+01 -0.242191D+02  0.117507D+01  0.149052D+01  0.143479D+01
      4   0.899010D+01  0.128060D+01  0.248870D+00 -0.180733D+01 -0.546340D+00
      5   0.168533D+00  0.122267D+01  0.196959D+00  0.219347D+01  0.651163D-01
      6   0.350785D+00  0.486264D+01  0.747538D+01  0.633941D+00  0.810246D+01
               126           127           128           129           130 
      1  -0.426154D+01  0.250033D+00  0.184408D+01  0.727875D+01  0.206208D+01
      2   0.345495D+01 -0.716279D+01  0.307649D+01  0.792194D+01  0.173378D+01
      3   0.806584D+00  0.691276D+01 -0.492058D+01 -0.152007D+02 -0.379586D+01
      4   0.233021D+00 -0.477433D+01  0.369725D+01  0.332640D+01  0.422875D+01
      5   0.122768D+01 -0.849713D+01  0.405324D+01  0.122950D+02  0.423010D+01
      6   0.383464D+00  0.495919D+01 -0.612118D+01 -0.774706D+01 -0.550290D+01
               131           132           133           134           135 
      1  -0.610293D+01 -0.942116D+01  0.380760D+01 -0.655012D+01 -0.172485D+02
      2   0.202283D+00 -0.381101D+01  0.532600D+01 -0.390449D+01 -0.155655D+02
      3   0.590064D+01  0.132322D+02 -0.913361D+01  0.104546D+02  0.328140D+02
      4  -0.359237D+01 -0.326635D+01  0.314665D+01 -0.289907D+01 -0.434136D+01
      5  -0.478473D+01 -0.530933D+01  0.106579D+02 -0.500118D+01 -0.122806D+02
      6   0.109105D+02  0.129151D+02 -0.595866D+01  0.102088D+02  0.149145D+02
               136           137           138           139           140 
      1   0.189323D+01  0.182349D+01 -0.659495D+01  0.160794D+01 -0.175618D+01
      2  -0.106685D+02  0.125896D+01 -0.114139D+02  0.234104D+01  0.767616D+00
      3   0.877531D+01 -0.308244D+01  0.180088D+02 -0.394898D+01  0.988566D+00
      4   0.891574D+00  0.407487D+01 -0.171286D+00  0.355486D+01 -0.831421D+00
      5   0.186074D+02 -0.190075D+01  0.175258D+02 -0.377221D+01  0.231478D+01
      6  -0.236452D+01  0.443439D+01 -0.354231D+01  0.276612D+01 -0.383398D+01
               141           142           143           144           145 
      1   0.231596D+01 -0.198172D+01  0.834649D+00 -0.881872D+01 -0.729242D+01
      2   0.186049D+01 -0.773136D+01 -0.263835D+00 -0.119523D+02  0.165336D+01
      3  -0.417645D+01  0.971308D+01 -0.570814D+00  0.207710D+02  0.563906D+01
      4   0.112303D+01  0.394664D+00  0.163781D+01 -0.643556D+00  0.197869D+01
      5  -0.436539D+01  0.138295D+02 -0.217849D+01  0.138778D+02 -0.872179D+01
      6   0.579944D+01 -0.258735D+01  0.490907D+01 -0.177785D+01  0.625717D+01
               146           147           148           149           150 
      1   0.835562D+01  0.110598D+02  0.856556D+01 -0.827596D+01 -0.657479D+01
      2  -0.263871D+01  0.363675D+01 -0.340617D+01  0.331813D+01 -0.116554D+01
      3  -0.571691D+01 -0.146966D+02 -0.515939D+01  0.495783D+01  0.774032D+01
      4   0.357692D+00 -0.839224D+00  0.261562D+01  0.927591D+00  0.295589D+01
      5   0.386378D+01  0.160869D+01  0.599801D+01 -0.368436D+00 -0.744414D+00
      6  -0.612196D+01 -0.623130D+01 -0.331504D+01  0.686408D+01  0.926926D+01
               151           152           153           154           155 
      1   0.690990D+01 -0.585934D+01 -0.109737D+02  0.279495D+02  0.947690D+01
      2   0.108889D+01  0.896234D+00 -0.306128D+01 -0.162316D+02 -0.292549D+01
      3  -0.799878D+01  0.496310D+01  0.140350D+02 -0.117179D+02 -0.655142D+01
      4  -0.383643D+00  0.144983D+01  0.587875D-01  0.186968D+02  0.149908D+02
      5   0.587454D+01 -0.229742D+01 -0.249015D+01  0.275706D+02  0.122700D+02
      6  -0.501997D+01  0.823611D+01  0.579734D+01  0.118526D+02  0.102179D+02
               156           157           158           159           160 
      1   0.567054D+01  0.125198D+02  0.375818D+01  0.143580D+01  0.439579D+00
      2  -0.897994D+01 -0.479917D+01  0.553435D+00 -0.316611D+01 -0.379791D+01
      3   0.330941D+01 -0.772060D+01 -0.431161D+01  0.173031D+01  0.335833D+01
      4   0.708686D+01  0.162688D+02  0.142974D+02  0.789403D+01  0.189036D+01
      5   0.185892D+02  0.152302D+02  0.111220D+02  0.933515D+01  0.100487D+02
      6   0.605267D+01  0.100713D+02  0.957032D+01  0.932128D+01  0.352987D+01
               161           162           163           164           165 
      1  -0.923117D-01  0.110936D+01  0.204421D+01 -0.256103D+00  0.304056D+01
      2  -0.105155D+01 -0.414816D+01 -0.334517D+01  0.180676D+01 -0.413903D+01
      3   0.114386D+01  0.303880D+01  0.130097D+01 -0.155066D+01  0.109846D+01
      4   0.281208D+01  0.309862D+01 -0.162926D+01  0.547467D+01 -0.272178D+01
      5   0.394774D+01  0.709541D+01  0.720975D+01 -0.318884D+01  0.888146D+01
      6   0.556258D+01  0.262859D+01 -0.206508D+01  0.295337D+01 -0.240576D+01
               166           167           168           169           170 
      1  -0.654044D+00 -0.799470D+01  0.108716D+02  0.145836D+01  0.613347D+01
      2   0.353442D+01  0.129639D+00  0.835811D+01 -0.492995D+01  0.506866D+01
      3  -0.288038D+01  0.786506D+01 -0.192297D+02  0.347159D+01 -0.112021D+02
      4   0.798423D+01 -0.132030D+02  0.103422D+02 -0.323523D+01  0.698621D+01
      5  -0.913922D+01  0.108588D+02 -0.160555D+02  0.959839D+01 -0.810402D+01
      6   0.651274D+01 -0.211831D+02  0.199919D+02 -0.381943D+01  0.142884D+02
               171           172           173           174           175 
      1  -0.119129D+02  0.249342D+01  0.119637D+01 -0.324593D+01  0.145241D+01
      2  -0.117510D+02 -0.319770D+01 -0.162208D-01  0.269222D+01 -0.171208D+01
      3   0.236639D+02  0.704274D+00 -0.118015D+01  0.553712D+00  0.259669D+00
      4  -0.764466D+01  0.957148D+00  0.173089D+01  0.271088D+01  0.584480D+01
      5   0.152136D+02 -0.312493D+01  0.139170D+01  0.561803D+01  0.247113D+01
      6  -0.153046D+02  0.173374D+01 -0.382408D+00 -0.143631D+01 -0.158673D+01
               176           177           178           179           180 
      1  -0.180550D+01 -0.275001D+01 -0.104807D+02 -0.185516D+01 -0.669007D+01
      2   0.371228D+01  0.124967D+01  0.610854D+01  0.201222D+01 -0.499663D+01
      3  -0.190679D+01  0.150034D+01  0.437212D+01 -0.157054D+00  0.116867D+02
      4  -0.824743D+01 -0.516702D+01  0.801938D+01 -0.960509D+01 -0.112891D+02
      5  -0.507956D+01 -0.101967D+02  0.127378D+02 -0.121474D+02 -0.335247D+02
      6   0.502799D+01  0.950924D+01 -0.440529D+01  0.103234D+02  0.169535D+02
               181           182           183           184           185 
      1   0.971099D+01 -0.376580D+01  0.359847D+01 -0.639098D+01 -0.288807D+01
      2  -0.241935D+01 -0.815754D+00 -0.688488D+00 -0.492133D+01  0.230866D+02
      3  -0.729164D+01  0.458155D+01 -0.290998D+01  0.113123D+02 -0.201985D+02
      4  -0.708849D+01  0.113994D+02 -0.493582D+01  0.223917D+02 -0.371263D+02
      5   0.394849D+01 -0.387563D+01  0.385950D+01 -0.610443D+01  0.116519D+02
      6  -0.284078D+01  0.117382D+01 -0.746375D+00  0.383774D+01 -0.959290D+01
               186           187           188           189           190 
      1   0.151411D+01  0.893323D+01  0.110391D+01 -0.195702D+01  0.681120D+02
      2  -0.676517D+01 -0.127864D+01 -0.920473D+01  0.285545D+01 -0.371041D+02
      3   0.525106D+01 -0.765459D+01  0.810082D+01 -0.898438D+00 -0.310079D+02
      4   0.124319D+02 -0.125174D+02  0.185431D+02 -0.112313D+02  0.744412D+01
      5  -0.123869D+02  0.777330D+01 -0.114870D+02  0.964151D+01 -0.961618D+00
      6   0.942120D+01 -0.461830D+01  0.951827D+01 -0.780672D+01 -0.153487D+01
               191           192           193           194           195 
      1   0.159669D+02  0.184986D+01  0.358757D+02  0.114373D+02  0.439827D+00
      2  -0.105532D+02 -0.857480D+00 -0.197913D+02 -0.451185D+01 -0.814963D+00
      3  -0.541367D+01 -0.992385D+00 -0.160844D+02 -0.692541D+01  0.375136D+00
      4   0.121939D+02  0.736828D-01  0.132664D+02  0.104868D+02  0.208527D+01
      5  -0.537871D+00  0.926715D+01 -0.187575D+01  0.132594D+01  0.525454D+01
      6  -0.804798D+00 -0.104043D+01 -0.791053D+00 -0.162617D+01  0.157439D+01
               196           197           198           199           200 
      1   0.627713D+01  0.465475D+00  0.496217D+01  0.248463D+02 -0.368148D+01
      2  -0.284890D+01 -0.159307D+01 -0.340335D+01 -0.128658D+02 -0.285022D-01
      3  -0.342823D+01  0.112760D+01 -0.155883D+01 -0.119805D+02  0.370998D+01
      4  -0.636548D+00  0.308510D+01  0.827378D-01 -0.148302D+02  0.103115D+02
      5   0.953878D+01  0.851100D+00  0.113804D+00  0.130588D+02 -0.229724D+01
      6  -0.371276D+00  0.211970D+01  0.938346D+00 -0.470889D+01  0.803102D+00
               201           202           203           204           205 
      1   0.101241D+02 -0.484768D+00  0.234713D+01  0.656274D+00  0.170908D+02
      2  -0.581646D+01 -0.123552D+01 -0.486118D+00 -0.883463D+00 -0.100617D+02
      3  -0.430760D+01  0.172028D+01 -0.186101D+01  0.227189D+00 -0.702908D+01
      4  -0.606018D+01  0.770983D+01 -0.307059D+01  0.308823D+01 -0.100577D+02
      5   0.116354D+02 -0.390493D+00  0.305006D+01 -0.224881D+01  0.139026D+02
      6  -0.452474D+01  0.173505D+01 -0.141438D+01  0.377007D+01 -0.635427D+01
               206           207           208           209           210 
      1   0.314654D-01  0.721416D+01 -0.128654D+01  0.482776D+01 -0.283642D+01
      2  -0.229825D+01 -0.667078D+01  0.487450D+01 -0.895273D+01  0.390715D+01
      3   0.226678D+01 -0.543388D+00 -0.358796D+01  0.412497D+01 -0.107074D+01
      4   0.764274D+01 -0.947315D+01 -0.673422D+01  0.123312D+02 -0.470335D+01
      5  -0.536118D+01  0.130788D+02  0.229108D+01 -0.375510D+01  0.435089D+01
      6   0.402257D+01 -0.590404D+01 -0.495641D+01  0.694527D+01 -0.369349D+01
               211           212           213           214           215 
      1   0.326246D+01 -0.300178D+02  0.124428D+02 -0.350887D+01  0.201550D+02
      2  -0.673340D+01  0.458574D+02 -0.158964D+02  0.535094D+01 -0.251309D+02
      3   0.347094D+01 -0.158396D+02  0.345358D+01 -0.184206D+01  0.497590D+01
      4   0.851616D+01 -0.116798D+02  0.570462D+01 -0.533352D+01  0.850355D+01
      5  -0.230102D+01  0.461424D+01 -0.250750D+01  0.389006D+01 -0.458590D+01
      6   0.532917D+01 -0.247865D+02  0.177283D+02 -0.398990D+01  0.254771D+02
               216           217           218           219           220 
      1  -0.156036D+02 -0.971351D+00 -0.529912D+01 -0.323036D+01 -0.291404D+01
      2   0.129012D+02  0.325111D+01  0.111259D+02  0.510165D+01  0.605718D+01
      3   0.270240D+01 -0.227976D+01 -0.582676D+01 -0.187129D+01 -0.314314D+01
      4  -0.450306D+01  0.789980D+01  0.854881D+01  0.508714D+01  0.617999D+01
      5   0.432714D+01  0.297807D+01  0.194923D+01  0.384547D+01  0.149079D+01
      6  -0.200681D+02  0.558115D+01  0.596018D+01  0.488007D+01  0.508756D+01
               221           222           223           224           225 
      1  -0.161589D+02 -0.656897D+01 -0.575450D+01 -0.126729D+02 -0.115769D+02
      2   0.250429D+02  0.935455D+01  0.547877D+01  0.179667D+02  0.109136D+02
      3  -0.888397D+01 -0.278558D+01  0.275730D+00 -0.529375D+01  0.663304D+00
      4   0.653763D+01  0.421879D+01  0.675667D+01  0.546171D+01  0.465660D+01
      5   0.220101D+01  0.127827D+01  0.379424D+01  0.157160D+01  0.293375D+01
      6   0.110804D+02  0.129477D+02  0.588946D+01  0.176543D+02  0.167892D+02
               226           227           228           229           230 
      1   0.105147D+02 -0.598668D+00  0.471832D+01 -0.522272D+01 -0.224594D+01
      2  -0.791902D+01  0.426912D+00 -0.345142D+01  0.361792D+01  0.331003D+01
      3  -0.259568D+01  0.171757D+00 -0.126690D+01  0.160480D+01 -0.106410D+01
      4   0.187595D+01  0.159887D+01  0.279743D+01  0.212402D+01  0.346260D+01
      5   0.578096D+01  0.156151D+01  0.124170D+02  0.552674D+00  0.288710D+01
      6   0.225504D+01  0.716351D+00  0.376943D+01  0.114575D+01  0.429636D+00
               231           232           233           234           235 
      1  -0.315693D-02  0.149127D+02  0.141660D+01  0.560233D+01  0.674558D+02
      2   0.839975D+00 -0.879138D+01  0.165802D+01 -0.115754D+02 -0.390715D+02
      3  -0.836818D+00 -0.612129D+01 -0.307461D+01  0.597310D+01 -0.283842D+02
      4   0.344687D+01  0.960211D+01  0.102379D+02  0.572702D+01  0.706222D+01
      5  -0.165468D+00  0.185540D+02  0.409072D+01  0.378337D+02 -0.258189D+02
      6   0.381073D+01  0.614729D+01  0.539178D+01  0.167719D+02 -0.429693D+01
               236           237           238           239           240 
      1  -0.640366D+01 -0.186407D+02 -0.224671D+02  0.454833D+01  0.582309D+01
      2   0.580020D+01  0.128931D+02  0.139147D+02 -0.119056D+01 -0.529011D+01
      3   0.603457D+00  0.574759D+01  0.855240D+01 -0.335777D+01 -0.532983D+00
      4   0.973196D+01 -0.138812D+01  0.586682D+01 -0.308016D+01 -0.379265D+01
      5   0.229629D+01  0.185232D+02  0.813754D+01 -0.473764D+01 -0.681253D+01
      6  -0.843225D+00  0.419442D+01 -0.422198D+00 -0.142410D+00  0.563775D+00
               241           242           243           244           245 
      1  -0.266023D+02  0.242749D+01  0.125927D+02  0.204314D+01  0.539674D+01
      2   0.178232D+02 -0.395754D+01 -0.120534D+02  0.720841D+00 -0.446115D+01
      3   0.877909D+01  0.153004D+01 -0.539319D+00 -0.276398D+01 -0.935590D+00
      4  -0.382295D+01 -0.735726D+01  0.114033D+01  0.185370D+01  0.415246D+01
      5   0.221987D+02 -0.154574D+01 -0.133307D+02 -0.238002D+01 -0.422422D+00
      6   0.401298D+01  0.246100D+01 -0.142091D+01 -0.192051D+01  0.617483D+00
               246           247           248           249           250 
      1  -0.310054D+01  0.627261D+01 -0.208013D+02  0.479268D+01 -0.518162D+01
      2   0.177526D+01  0.296302D+01  0.447273D+02 -0.667686D+01  0.188717D+01
      3   0.132528D+01 -0.923563D+01 -0.239259D+02  0.188418D+01  0.329445D+01
      4  -0.102496D+01  0.178901D+02  0.479399D+02 -0.835288D+01 -0.458008D+01
      5   0.190360D+01 -0.237346D+01 -0.882444D+01  0.825929D+01  0.565103D+01
      6  -0.656547D+00 -0.277075D+01 -0.129147D+02  0.100278D+02  0.242830D+01
               251           252 
      1   0.526463D+01 -0.200348D+01
      2  -0.784898D+01  0.259961D+01
      3   0.258435D+01 -0.596128D+00
      4  -0.104896D+02  0.627681D+01
      5   0.634869D+01 -0.223789D+01
      6   0.979176D+01 -0.444188D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.435381D-03      0.110663D-02      0.369132D-02
   y          0.345650D-01      0.878556D-01      0.293055D+00
   z          0.394025D-01      0.100151D+00      0.334068D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122105D+03      0.180941D+02      0.201325D+02
   yx        -0.124918D+00     -0.185110D-01     -0.205963D-01
   yy         0.109055D+03      0.161603D+02      0.179807D+02
   zx         0.628410D+00      0.931207D-01      0.103611D+00
   zy        -0.115230D+00     -0.170753D-01     -0.189988D-01
   zz         0.105096D+03      0.155736D+02      0.173280D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119736D+03      0.177430D+02      0.197417D+02
   aniso      0.168279D+02      0.249364D+01      0.277455D+01
   xx         0.130646D+03      0.193597D+02      0.215406D+02
   yx        -0.611004D-01     -0.905415D-02     -0.100741D-01
   yy         0.116445D+03      0.172554D+02      0.191992D+02
   zx         0.654658D+00      0.970103D-01      0.107938D+00
   zy        -0.138997D-01     -0.205972D-02     -0.229174D-02
   zz         0.112116D+03      0.166139D+02      0.184854D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.89938988          1.25505079          1.68977102
     6         -2.50302057         -1.25045656          0.21936361
     6         -0.48334272          2.86832662          2.03732938
     6          1.46379954          2.29146733         -0.01757844
     6          2.27887973         -0.54602714          0.07366511
     6         -0.17429523         -1.04637655         -1.49381017
     6          0.06446545          1.68920227         -2.52153335
     1         -3.78062086          0.86848788          3.51469629
     6         -4.86966676         -1.93446403         -1.28353076
     1         -2.16412252         -2.78110531          1.56444834
     1          2.97867149          3.69261183         -0.05096073
     6          2.59485097         -1.82374096          2.63327704
     6          4.66470237         -1.03383009         -1.48144267
     1         -0.10638463         -2.60546485         -2.84659226
     1          1.27572488          1.82127731         -4.17417637
     1         -1.67623718          2.72101427         -2.90575484
     1          0.98969729         -1.56434635          3.89105677
     1          4.26551797         -1.08393344          3.59769423
     1          2.87207004         -3.85669751          2.39119106
     1          4.59040970         -0.17719510         -3.35158912
     1          4.95723845         -3.06303116         -1.73351168
     1          6.32406432         -0.27738274         -0.51141232
     1         -4.27339435          2.37886122          0.63771247
     1         -0.99471972          4.86790299          1.96088672
     1          0.35849874          2.56171428          3.89581953
     1         -5.23613029         -0.53547761         -2.75884273
     1         -6.53218524         -2.00550346         -0.06142526
     1         -4.67000305         -3.77666064         -2.19231831

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524165D-01      0.133229D+00      0.444406D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122094D+03      0.180925D+02      0.201306D+02
   yx        -0.570272D+00     -0.845056D-01     -0.940252D-01
   yy         0.107451D+03      0.159226D+02      0.177163D+02
   zx         0.523973D+00      0.776448D-01      0.863915D-01
   zy         0.194152D+01      0.287703D+00      0.320113D+00
   zz         0.106711D+03      0.158129D+02      0.175943D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119736D+03      0.177430D+02      0.197417D+02
   aniso      0.168279D+02      0.249364D+01      0.277455D+01
   xx         0.130634D+03      0.193580D+02      0.215386D+02
   yx        -0.545655D+00     -0.808577D-01     -0.899664D-01
   yy         0.114580D+03      0.169789D+02      0.188916D+02
   zx         0.596856D+00      0.884449D-01      0.984082D-01
   zy         0.213846D+01      0.316887D+00      0.352584D+00
   zz         0.113993D+03      0.168921D+02      0.187950D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K10-35-02\Freq\RLC-PBEPBE\Gen\C10H18\PIERPA\16-Jul-2021\0
 \\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Ti
 ght) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0248
 000000,3/108=0248000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/1
 31=-1)\\ROA calculations.\\0,1\C,-1.52888,1.093729,0.246966\C,-1.32145
 6,-0.416759,0.534617\C,-0.251555,1.852797,-0.188359\C,0.77071,0.903021
 ,-0.813047\C,1.207111,-0.195282,0.209826\C,-0.097064,-0.937248,-0.2283
 22\C,0.020234,-0.208022,-1.592788\H,-1.986528,1.578225,1.111675\C,-2.5
 79256,-1.209394,0.185867\H,-1.133681,-0.556858,1.602321\H,1.569849,1.4
 4626,-1.321922\C,1.387674,0.189094,1.672498\C,2.463556,-0.935948,-0.24
 905\H,-0.064495,-2.029648,-0.222695\H,0.653697,-0.734184,-2.30161\H,-0
 .904266,0.071251,-2.098034\H,0.543396,0.73385,2.089372\H,2.274733,0.81
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 IF THE FACTS DO NOT CONFORM TO THE THEORY, THEY MUST BE DISPOSED OF.
 Job cpu time:       0 days 20 hours 31 minutes 50.7 seconds.
 Elapsed time:       0 days  2 hours 35 minutes 36.1 seconds.
 File lengths (MBytes):  RWF=    433 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 21:49:42 2021.
